2-Amino-5-methoxypyrimidine-4,6-diol - CAS 98142-98-4

Name: 2-Amino-5-methoxypyrimidine-4,6-diol
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB042119
Product Name:	2-Amino-5-methoxypyrimidine-4,6-diol
CAS:	98142-98-4
Synonyms:	2-amino-4-hydroxy-5-methoxy-1H-pyrimidin-6-one; 2-amino-4-hydroxy-5-methoxy-1H-pyrimidin-6-one

Technical Data

Patents

Computed Properties

IUPAC Name:	2-amino-4-hydroxy-5-methoxy-1H-pyrimidin-6-one
Description:	2-Amino-5-methoxypyrimidine-4,6-diol (CAS# 98142-98-4 ) is a useful research chemical.
Molecular Weight:	157.13
Molecular Formula:	C5H7N3O3
Canonical SMILES:	COC1=C(N=C(NC1=O)N)O
InChI:	InChI=1S/C5H7N3O3/c1-11-2-3(9)7-5(6)8-4(2)10/h1H3,(H4,6,7,8,9,10)
InChI Key:	BEBIJDKTTZMGDN-UHFFFAOYSA-N
Density:	1.73±0.1 g/cm³ (20 °C, 760 mmH g)
LogP:	-0.35250

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Related Functional Groups

Benzopyrans

[50683-74-4]C11H15NO
Isochroman-1-ylmethyl-methyl-amine
[238764-22-2]C9H10FNO
4-Amino-6-fluorochromane
[1220531-63-4]C15H11BrO2
(2R)-6-Bromo-2,3-dihydro-2-phenyl-4H-1-benzopyran-4-one
[83278-86-8]C10H12O2
2-(Hydroxymethyl)chromane
[1360823-43-3]C44H38O2P2
(20-Diphenylphosphanyl-2,22-dioxapentacyclo[12.8.0.01,10.03,8.016,21]docosa-3(8),4,6,16(21),17,19-hexaen-4-yl)-diphenylphosphane
[182949-89-9]C9H9BrO
5-Bromoisochroman

Publication Number	Title	Priority Date
BR-112019011284-A2	compound, pharmaceutical composition, methods of treating a condition, hbv and cancer, and, use of a compound.	20161205
CN-1320122-A	Pyrazole derivatives and salts thereof	19980724
EP-1103551-A1	Pyrazole derivatives and salts thereof	19980724
US-6573377-B1	Pyrazole derivatives and salts thereof	19980724
WO-0005230-A1	Pyrazole derivatives and salts thereof	19980724

Complexity:	256
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	157.04874109
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	157.04874109
Rotatable Bond Count:	1
Topological Polar Surface Area:	96.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-1.3