4-chloro-2-methyl-1H-pyrimidin-6-one;hydrochloride

C5H6Cl2N2O — CID 135689646

IUPAC4-chloro-2-methyl-1H-pyrimidin-6-one;hydrochloride
SMILESCc1nc(Cl)cc(=O)[nH]1.Cl
InChIInChI=1S/C5H5ClN2O.ClH/c1-3-7-4(6)2-5(9)8-3;/h2H,1H3,(H,7,8,9);1H
InChIKeyCYNQDBBHZJKALF-UHFFFAOYSA-N
MW181.02 g/mol
LogP1.15
Rot. Bonds

About 4-chloro-2-methyl-1H-pyrimidin-6-one;hydrochloride

4-chloro-2-methyl-1H-pyrimidin-6-one;hydrochloride (PubChem CID 135689646) has the molecular formula C5H6Cl2N2O and a molecular weight of 181.02 g/mol. Its IUPAC name is 4-chloro-2-methyl-1H-pyrimidin-6-one;hydrochloride.

Molecular Properties

Compound Name4-chloro-2-methyl-1H-pyrimidin-6-one;hydrochloride
PubChem CID135689646
Molecular FormulaC5H6Cl2N2O
Molecular Weight181.02 g/mol
Exact Mass179.99
IUPAC Name4-chloro-2-methyl-1H-pyrimidin-6-one;hydrochloride
SMILESCc1nc(Cl)cc(=O)[nH]1.Cl
InChIInChI=1S/C5H5ClN2O.ClH/c1-3-7-4(6)2-5(9)8-3;/h2H,1H3,(H,7,8,9);1H
InChIKeyCYNQDBBHZJKALF-UHFFFAOYSA-N
XLogP1.15
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.02
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,6-Dihydroxy-2-methylpyrimidine
CID 222672
2-Methyl-4-amino-6-hydroxypyrimidine
CID 135431330
6-(Chloromethyl)-2-methylpyrimidin-4-ol
CID 135464838
6-Chloro-2,5-dimethylpyrimidin-4-ol
CID 135538365
6-Chloro-2-Methyl-4-Pyrimidinol
CID 135459509
2-Methylpyrimidin-4-ol hydrochloride
CID 119106306
6-Chloro-2-(propan-2-yl)pyrimidin-4-ol
CID 136278171
Pyrimidine, 2-butyl-4-chloro-6-hydroxy-
CID 135828000
4-chloro-2-(fluoromethyl)-1H-pyrimidin-6-one
CID 137273170
4-chloro-2-methyl-1H-pyrimidin-3-ium-6-one chloride
CID 135006921
4-Amino-6-oxo-2-vinylpyrimidine
CID 136209065
4(3H)-Pyrimidinone, 6-fluoro-2-methyl-(8CI)
CID 135618098

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-1H-pyrimidin-6-one;hydrochloride?
The IUPAC name of 4-chloro-2-methyl-1H-pyrimidin-6-one;hydrochloride (CID 135689646) is 4-chloro-2-methyl-1H-pyrimidin-6-one;hydrochloride.
What is the SMILES notation for 4-chloro-2-methyl-1H-pyrimidin-6-one;hydrochloride?
The canonical SMILES for 4-chloro-2-methyl-1H-pyrimidin-6-one;hydrochloride is Cc1nc(Cl)cc(=O)[nH]1.Cl.
What is the InChIKey of 4-chloro-2-methyl-1H-pyrimidin-6-one;hydrochloride?
The InChIKey is CYNQDBBHZJKALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN2O.ClH/c1-3-7-4(6)2-5(9)8-3;/h2H,1H3,(H,7,8,9);1H.
What are the key properties of 4-chloro-2-methyl-1H-pyrimidin-6-one;hydrochloride?
4-chloro-2-methyl-1H-pyrimidin-6-one;hydrochloride has a molecular weight of 181.02 g/mol, XLogP of 1.15, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-1H-pyrimidin-6-one;hydrochloride is sourced from PubChem (CID 135689646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).