2-(2-chloro-6-methoxyphenyl)-4-cyclopentyl-1H-pyrimidin-6-one

C16H17ClN2O2 — CID 136775591

IUPAC2-(2-chloro-6-methoxyphenyl)-4-cyclopentyl-1H-pyrimidin-6-one
SMILESCOc1cccc(Cl)c1-c1nc(C2CCCC2)cc(=O)[nH]1
InChIInChI=1S/C16H17ClN2O2/c1-21-13-8-4-7-11(17)15(13)16-18-12(9-14(20)19-16)10-5-2-3-6-10/h4,7-10H,2-3,5-6H2,1H3,(H,18,19,20)
InChIKeyVBYLJGTYOQYELS-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.76
Rot. Bonds3

About 2-(2-chloro-6-methoxyphenyl)-4-cyclopentyl-1H-pyrimidin-6-one

2-(2-chloro-6-methoxyphenyl)-4-cyclopentyl-1H-pyrimidin-6-one (PubChem CID 136775591) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 2-(2-chloro-6-methoxyphenyl)-4-cyclopentyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-chloro-6-methoxyphenyl)-4-cyclopentyl-1H-pyrimidin-6-one
PubChem CID136775591
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name2-(2-chloro-6-methoxyphenyl)-4-cyclopentyl-1H-pyrimidin-6-one
SMILESCOc1cccc(Cl)c1-c1nc(C2CCCC2)cc(=O)[nH]1
InChIInChI=1S/C16H17ClN2O2/c1-21-13-8-4-7-11(17)15(13)16-18-12(9-14(20)19-16)10-5-2-3-6-10/h4,7-10H,2-3,5-6H2,1H3,(H,18,19,20)
InChIKeyVBYLJGTYOQYELS-UHFFFAOYSA-N
XLogP3.76
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-methoxyphenyl)-4-cyclopentyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-chloro-6-methoxyphenyl)-4-cyclopentyl-1H-pyrimidin-6-one (CID 136775591) is 2-(2-chloro-6-methoxyphenyl)-4-cyclopentyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-chloro-6-methoxyphenyl)-4-cyclopentyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-chloro-6-methoxyphenyl)-4-cyclopentyl-1H-pyrimidin-6-one is COc1cccc(Cl)c1-c1nc(C2CCCC2)cc(=O)[nH]1.
What is the InChIKey of 2-(2-chloro-6-methoxyphenyl)-4-cyclopentyl-1H-pyrimidin-6-one?
The InChIKey is VBYLJGTYOQYELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-21-13-8-4-7-11(17)15(13)16-18-12(9-14(20)19-16)10-5-2-3-6-10/h4,7-10H,2-3,5-6H2,1H3,(H,18,19,20).
What are the key properties of 2-(2-chloro-6-methoxyphenyl)-4-cyclopentyl-1H-pyrimidin-6-one?
2-(2-chloro-6-methoxyphenyl)-4-cyclopentyl-1H-pyrimidin-6-one has a molecular weight of 304.78 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-methoxyphenyl)-4-cyclopentyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136775591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).