4-Amino-5-methoxypyrimidine - CAS 695-86-3

Name: 4-Amino-5-methoxypyrimidine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB033877
Product Name:	4-Amino-5-methoxypyrimidine
CAS:	695-86-3
Synonyms:	5-methoxy-4-pyrimidinamine; 5-methoxypyrimidin-4-amine

Technical Data

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Computed Properties

IUPAC Name:	5-methoxypyrimidin-4-amine
Description:	4-Amino-5-methoxypyrimidine (CAS# 695-86-3) is a useful research chemical.
Molecular Weight:	125.13
Molecular Formula:	C5H7N3O
Canonical SMILES:	COC1=CN=CN=C1N
InChI:	InChI=1S/C5H7N3O/c1-9-4-2-7-3-8-5(4)6/h2-3H,1H3,(H2,6,7,8)
InChI Key:	SEEZTIHVTBTNSZ-UHFFFAOYSA-N
Boiling Point:	264.3 °C at 760 mmHg
Density:	1.224 g/cm³
LogP:	0.64860

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Related Functional Groups

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2019166824-A1	Oxadiazolylthiophene derivatives useful as histone deacetylase inhibitors	20180301
CN-112004814-A	Oxadiazolyl thiophene derivatives useful as inhibitors of histone deacetylase	20180301
EP-3759106-A1	Oxadiazolylthiophene derivatives useful as histone deacetylase inhibitors	20180301
US-2021038607-A1	Oxadiazolylthiophene derivatives useful as histone deacetylase inhibitors	20180301
CN-109020957-A	Heterocyclic compound as MNK inhibitor	20170612

Complexity:	88.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	125.058911855
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	125.058911855
Rotatable Bond Count:	1
Topological Polar Surface Area:	61 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.2