6-chloro-2-methyl-3-pentan-3-ylpyrimidin-4-one

C10H15ClN2O — CID 114581970

IUPAC6-chloro-2-methyl-3-pentan-3-ylpyrimidin-4-one
SMILESCCC(CC)n1c(C)nc(Cl)cc1=O
InChIInChI=1S/C10H15ClN2O/c1-4-8(5-2)13-7(3)12-9(11)6-10(13)14/h6,8H,4-5H2,1-3H3
InChIKeyNBZRCJZKBPSLJD-UHFFFAOYSA-N
MW214.70 g/mol
LogP2.57
Rot. Bonds3

About 6-chloro-2-methyl-3-pentan-3-ylpyrimidin-4-one

6-chloro-2-methyl-3-pentan-3-ylpyrimidin-4-one (PubChem CID 114581970) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is 6-chloro-2-methyl-3-pentan-3-ylpyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-2-methyl-3-pentan-3-ylpyrimidin-4-one
PubChem CID114581970
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name6-chloro-2-methyl-3-pentan-3-ylpyrimidin-4-one
SMILESCCC(CC)n1c(C)nc(Cl)cc1=O
InChIInChI=1S/C10H15ClN2O/c1-4-8(5-2)13-7(3)12-9(11)6-10(13)14/h6,8H,4-5H2,1-3H3
InChIKeyNBZRCJZKBPSLJD-UHFFFAOYSA-N
XLogP2.57
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-Chloro-2-methyl-3-(3,3,3-trifluoropropyl)pyrimidin-4-one
CID 114581616
6-Chloro-2-methyl-3-(4,4,4-trifluorobutyl)pyrimidin-4-one
CID 114581717
6-Chloro-3-(2-fluoroethyl)-2-methylpyrimidin-4-one
CID 114581875
6-Chloro-3-(3-fluoropropyl)-2-methylpyrimidin-4-one
CID 114581954
6-Chloro-2-ethyl-3-(3,3,3-trifluoropropyl)pyrimidin-4-one
CID 114584188
6-Chloro-2-ethyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one
CID 114584199
6-Chloro-2-ethyl-3-(4,4,4-trifluorobutyl)pyrimidin-4-one
CID 114584264
6-Chloro-3-(2,2-difluoroethyl)-2-ethylpyrimidin-4-one
CID 114584316
6-Chloro-2-ethyl-3-(2-fluoroethyl)pyrimidin-4-one
CID 114584391
6-Chloro-2-ethyl-3-(3-fluoropropyl)pyrimidin-4-one
CID 114584452
6-Chloro-3-(2-fluoroethyl)-2-propan-2-ylpyrimidin-4-one
CID 114585003
6-Chloro-3-(3-fluoropropyl)-2-propan-2-ylpyrimidin-4-one
CID 114585057

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-3-pentan-3-ylpyrimidin-4-one?
The IUPAC name of 6-chloro-2-methyl-3-pentan-3-ylpyrimidin-4-one (CID 114581970) is 6-chloro-2-methyl-3-pentan-3-ylpyrimidin-4-one.
What is the SMILES notation for 6-chloro-2-methyl-3-pentan-3-ylpyrimidin-4-one?
The canonical SMILES for 6-chloro-2-methyl-3-pentan-3-ylpyrimidin-4-one is CCC(CC)n1c(C)nc(Cl)cc1=O.
What is the InChIKey of 6-chloro-2-methyl-3-pentan-3-ylpyrimidin-4-one?
The InChIKey is NBZRCJZKBPSLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O/c1-4-8(5-2)13-7(3)12-9(11)6-10(13)14/h6,8H,4-5H2,1-3H3.
What are the key properties of 6-chloro-2-methyl-3-pentan-3-ylpyrimidin-4-one?
6-chloro-2-methyl-3-pentan-3-ylpyrimidin-4-one has a molecular weight of 214.70 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-3-pentan-3-ylpyrimidin-4-one is sourced from PubChem (CID 114581970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).