6-chloro-3-(cyclohexylmethyl)-2-methylpyrimidin-4-one

C12H17ClN2O — CID 114581922

IUPAC6-chloro-3-(cyclohexylmethyl)-2-methylpyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1CC1CCCCC1
InChIInChI=1S/C12H17ClN2O/c1-9-14-11(13)7-12(16)15(9)8-10-5-3-2-4-6-10/h7,10H,2-6,8H2,1H3
InChIKeyDQEQDDAFNKPVPH-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.79
Rot. Bonds2

About 6-chloro-3-(cyclohexylmethyl)-2-methylpyrimidin-4-one

6-chloro-3-(cyclohexylmethyl)-2-methylpyrimidin-4-one (PubChem CID 114581922) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 6-chloro-3-(cyclohexylmethyl)-2-methylpyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-(cyclohexylmethyl)-2-methylpyrimidin-4-one
PubChem CID114581922
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name6-chloro-3-(cyclohexylmethyl)-2-methylpyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1CC1CCCCC1
InChIInChI=1S/C12H17ClN2O/c1-9-14-11(13)7-12(16)15(9)8-10-5-3-2-4-6-10/h7,10H,2-6,8H2,1H3
InChIKeyDQEQDDAFNKPVPH-UHFFFAOYSA-N
XLogP2.79
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-Chloro-3-[(3,3-difluorocyclohexyl)methyl]-2-methylpyrimidin-4-one
CID 114224996
6-Chloro-3-[(3,3-difluorocyclopentyl)methyl]-2-propan-2-ylpyrimidin-4-one
CID 114225000
2-(Cyclohexylmethyl)-3-ethylpyrimidin-4-one
CID 59164977
2-Cyclohexyl-6-hydroxy-3-pentan-3-ylpyrimidin-4-one
CID 136364427
2-Cyclohexyl-6-hydroxy-3-pentylpyrimidin-4-one
CID 136364428
2-(Cyclohexylmethyl)-3-ethylpyrimidin-4-one;uranium
CID 142822927
6-Chloro-3-[2-(1-methylpiperidin-2-yl)ethyl]-2-propan-2-ylpyrimidin-4-one
CID 107913299
6-Chloro-2-ethyl-3-octylpyrimidin-4-one
CID 113604480
6-Chloro-2-ethyl-3-(2-ethylhexyl)pyrimidin-4-one
CID 113604509
6-Chloro-3-(cyclohexylmethyl)-2-cyclopropylpyrimidin-4-one
CID 113604577
6-Chloro-3-octyl-2-propan-2-ylpyrimidin-4-one
CID 113604590
6-Chloro-3-heptyl-2-propan-2-ylpyrimidin-4-one
CID 113604609

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(cyclohexylmethyl)-2-methylpyrimidin-4-one?
The IUPAC name of 6-chloro-3-(cyclohexylmethyl)-2-methylpyrimidin-4-one (CID 114581922) is 6-chloro-3-(cyclohexylmethyl)-2-methylpyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-(cyclohexylmethyl)-2-methylpyrimidin-4-one?
The canonical SMILES for 6-chloro-3-(cyclohexylmethyl)-2-methylpyrimidin-4-one is Cc1nc(Cl)cc(=O)n1CC1CCCCC1.
What is the InChIKey of 6-chloro-3-(cyclohexylmethyl)-2-methylpyrimidin-4-one?
The InChIKey is DQEQDDAFNKPVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-9-14-11(13)7-12(16)15(9)8-10-5-3-2-4-6-10/h7,10H,2-6,8H2,1H3.
What are the key properties of 6-chloro-3-(cyclohexylmethyl)-2-methylpyrimidin-4-one?
6-chloro-3-(cyclohexylmethyl)-2-methylpyrimidin-4-one has a molecular weight of 240.73 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(cyclohexylmethyl)-2-methylpyrimidin-4-one is sourced from PubChem (CID 114581922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).