2-amino-5-chloro-4-methyl-1H-pyrimidin-6-one

C5H6ClN3O — CID 135905258

IUPAC2-amino-5-chloro-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N)[nH]c(=O)c1Cl
InChIInChI=1S/C5H6ClN3O/c1-2-3(6)4(10)9-5(7)8-2/h1H3,(H3,7,8,9,10)
InChIKeyONGTVDNWEWISGD-UHFFFAOYSA-N
MW159.58 g/mol
LogP0.31
Rot. Bonds

About 2-amino-5-chloro-4-methyl-1H-pyrimidin-6-one

2-amino-5-chloro-4-methyl-1H-pyrimidin-6-one (PubChem CID 135905258) has the molecular formula C5H6ClN3O and a molecular weight of 159.58 g/mol. Its IUPAC name is 2-amino-5-chloro-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-chloro-4-methyl-1H-pyrimidin-6-one
PubChem CID135905258
Molecular FormulaC5H6ClN3O
Molecular Weight159.58 g/mol
Exact Mass159.02
IUPAC Name2-amino-5-chloro-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N)[nH]c(=O)c1Cl
InChIInChI=1S/C5H6ClN3O/c1-2-3(6)4(10)9-5(7)8-2/h1H3,(H3,7,8,9,10)
InChIKeyONGTVDNWEWISGD-UHFFFAOYSA-N
XLogP0.31
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.58
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2,4-dimethyl-1H-pyrimidin-6-one;2-methylpropane
CID 145286848
N-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)formamide
CID 166684084
2-amino-5-(2-bromoethyl)-4-methyl-1H-pyrimidin-6-one
CID 135442066
5-chloro-2-(4-fluorophenyl)-4-methyl-1H-pyrimidin-6-one
CID 136740674
2-amino-4-methyl-5-[(Z)-3-methylpent-1-enyl]-1H-pyrimidin-6-one
CID 145259497
4,5-dichloro-2-methyl-1H-pyrimidin-6-one
CID 135621449
(2S)-2-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)propanoate
CID 135832719
2-amino-5-benzyl-4-methyl-1H-pyrimidin-6-one
CID 135469356
methyl (2R)-2-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)propanoate
CID 135659068
5-chloro-4,6-dimethyl-1H-pyrimidin-2-one;hydrochloride
CID 21405088
5-amino-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 136596195
5-amino-2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-6H-[1,3]dithiolo[4,5-d]pyrimidin-7-one
CID 14943624

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-chloro-4-methyl-1H-pyrimidin-6-one (CID 135905258) is 2-amino-5-chloro-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-chloro-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-chloro-4-methyl-1H-pyrimidin-6-one is Cc1nc(N)[nH]c(=O)c1Cl.
What is the InChIKey of 2-amino-5-chloro-4-methyl-1H-pyrimidin-6-one?
The InChIKey is ONGTVDNWEWISGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClN3O/c1-2-3(6)4(10)9-5(7)8-2/h1H3,(H3,7,8,9,10).
What are the key properties of 2-amino-5-chloro-4-methyl-1H-pyrimidin-6-one?
2-amino-5-chloro-4-methyl-1H-pyrimidin-6-one has a molecular weight of 159.58 g/mol, XLogP of 0.31, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135905258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).