2,5,6-Triaminopyrimidin-4(1H)-one Sulfate - CAS 35011-47-3

Catalog:	BB022394
Product Name:	2,5,6-Triaminopyrimidin-4(1H)-one Sulfate
CAS:	35011-47-3
Synonyms:	sulfuric acid;2,4,5-triamino-1H-pyrimidin-6-one; sulfuric acid;2,4,5-triamino-1H-pyrimidin-6-one

Technical Data

Safety and Hazards

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Computed Properties

IUPAC Name:	sulfuric acid;2,4,5-triamino-1H-pyrimidin-6-one
Description:	2,5,6-Triaminopyrimidin-4(1H)-one Sulfate (CAS# 35011-47-3) is a compound useful in organic synthesis.
Molecular Weight:	478.42
Molecular Formula:	C8H18N10O10S2
Canonical SMILES:	C1(=C(N=C(NC1=O)N)N)N.OS(=O)(=O)O
InChI:	InChI=1S/C4H7N5O.H2O4S/c5-1-2(6)8-4(7)9-3(1)10;1-5(2,3)4/h5H2,(H5,6,7,8,9,10);(H2,1,2,3,4)
InChI Key:	RSKNEEODWFLVFF-UHFFFAOYSA-N
Boiling Point:	277 °C at 760 mmHg
Density:	2.033 g/cm³
MDL:	MFCD00012785
LogP:	0.68810

Publication Number	Title	Priority Date
DE-202021103784-U1	Cosmetic product with Himanthalia Elongata extract	20210715
WO-2019201991-A1	2,6-diamino-3,4-dihydropyrimidin-4-one derivatives and use thereof in therapy	20180418
AU-2019256682-A1	2,6-diamino-3,4-dihydropyrimidin-4-one derivatives and use thereof in therapy	20180418
BR-112020019952-A2	compound, pharmaceutical composition, method for the treatment or prophylaxis of a disease or disorder, use of a compound, combination product, kit-of-parts, and process for the preparation of a compound	20180418
CN-112218858-A	2, 6-diamino-3, 4-dihydropyrimidin-4-one derivatives and their use in therapy	20180418

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Related Functional Groups

Amines and Anilines

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GHS Hazard Statement:	H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P272, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P333+P313, P337+P313, P363, and P501
Signal Word:	Warning

Complexity:	321
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	239.03243958
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	8
Hydrogen Bond Donor Count:	6
Isotope Atom Count:	0
Monoisotopic Mass:	239.03243958
Rotatable Bond Count:	0
Topological Polar Surface Area:	203 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0