4,5,6-Triaminopyrimidine - CAS 118-70-7

Name: 4,5,6-Triaminopyrimidine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB004235
Product Name:	4,5,6-Triaminopyrimidine
CAS:	118-70-7
Synonyms:	pyrimidine-4,5,6-triamine; pyrimidine-4,5,6-triamine

Technical Data

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Computed Properties

IUPAC Name:	pyrimidine-4,5,6-triamine
Description:	4,5,6-Triaminopyrimidine (CAS# 118-70-7) is a useful research chemical compound.
Molecular Weight:	125.13
Molecular Formula:	C4H7N5
Canonical SMILES:	C1=NC(=C(C(=N1)N)N)N
InChI:	InChI=1S/C4H7N5/c5-2-3(6)8-1-9-4(2)7/h1H,5H2,(H4,6,7,8,9)
InChI Key:	MPNBXFXEMHPGTK-UHFFFAOYSA-N
Boiling Point:	406.2 °C at 760 mmHg
Density:	1.512 g/cm³
Storage:	Keep in dark place, Sealed in dry, Room Temperature
LogP:	0.96680

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Related Functional Groups

Nitrogen Compounds

[62838-59-9]C8H12N2
1-Cyclopentyl-1H-pyrazole
[1281984-38-0]C8H10N4O4
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1170836-25-5]C8H11N3O2
1-Cyclopentyl-5-nitro-1H-pyrazole
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[13021-14-2]C10H15N
2,4,6-Trimethyl-N-methylaniline
[2006278-12-0]C13H9BrN2O
2-[(5-Bromo-3-pyridyl)oxy]-2-phenylacetonitrile

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Publication Number	Title	Priority Date
KR-20210094392-A	Surface-modified Substrate with Amino Unsaturated Heterocycle compound and Method for Surface-modification thereof	20200121
WO-2021150018-A1	Surface modified substrate with amino unsaturated heterocyclic compound and surface modifying method thereof	20200121
CN-110975920-A	Preparation method of nitrogen-doped grid macromolecule in-situ growth denitration sulfur-resistant catalyst	20191225
CN-111097294-A	Preparation method of nanofiltration membrane for reclaimed water treatment	20190820
CN-110407757-A	A kind of synthetic method of 4,5,6- Triaminopyrimidine	20190624

PMID	Publication Date	Title	Journal
22989530	20121015	Compound instability in dimethyl sulphoxide, case studies with 5-aminopyrimidines and the implications for compound storage and screening	Bioorganic & medicinal chemistry letters
18222571	20080901	Microwave induced synthesis of novel 8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepines as potential antitumor agents	European journal of medicinal chemistry

Complexity:	85
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	125.07014524
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	125.07014524
Rotatable Bond Count:	0
Topological Polar Surface Area:	104
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-1.2