2-(3-chloro-2-pyridinyl)-4-cyclopentyl-1H-pyrimidin-6-one

C14H14ClN3O — CID 136847785

IUPAC2-(3-chloro-2-pyridinyl)-4-cyclopentyl-1H-pyrimidin-6-one
SMILESO=c1cc(C2CCCC2)nc(-c2ncccc2Cl)[nH]1
InChIInChI=1S/C14H14ClN3O/c15-10-6-3-7-16-13(10)14-17-11(8-12(19)18-14)9-4-1-2-5-9/h3,6-9H,1-2,4-5H2,(H,17,18,19)
InChIKeyCJQGQNUQXXHKMM-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.14
Rot. Bonds2

About 2-(3-chloro-2-pyridinyl)-4-cyclopentyl-1H-pyrimidin-6-one

2-(3-chloro-2-pyridinyl)-4-cyclopentyl-1H-pyrimidin-6-one (PubChem CID 136847785) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 2-(3-chloro-2-pyridinyl)-4-cyclopentyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-chloro-2-pyridinyl)-4-cyclopentyl-1H-pyrimidin-6-one
PubChem CID136847785
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name2-(3-chloro-2-pyridinyl)-4-cyclopentyl-1H-pyrimidin-6-one
SMILESO=c1cc(C2CCCC2)nc(-c2ncccc2Cl)[nH]1
InChIInChI=1S/C14H14ClN3O/c15-10-6-3-7-16-13(10)14-17-11(8-12(19)18-14)9-4-1-2-5-9/h3,6-9H,1-2,4-5H2,(H,17,18,19)
InChIKeyCJQGQNUQXXHKMM-UHFFFAOYSA-N
XLogP3.14
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-pyridinyl)-4-cyclopentyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-chloro-2-pyridinyl)-4-cyclopentyl-1H-pyrimidin-6-one (CID 136847785) is 2-(3-chloro-2-pyridinyl)-4-cyclopentyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-chloro-2-pyridinyl)-4-cyclopentyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-chloro-2-pyridinyl)-4-cyclopentyl-1H-pyrimidin-6-one is O=c1cc(C2CCCC2)nc(-c2ncccc2Cl)[nH]1.
What is the InChIKey of 2-(3-chloro-2-pyridinyl)-4-cyclopentyl-1H-pyrimidin-6-one?
The InChIKey is CJQGQNUQXXHKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c15-10-6-3-7-16-13(10)14-17-11(8-12(19)18-14)9-4-1-2-5-9/h3,6-9H,1-2,4-5H2,(H,17,18,19).
What are the key properties of 2-(3-chloro-2-pyridinyl)-4-cyclopentyl-1H-pyrimidin-6-one?
2-(3-chloro-2-pyridinyl)-4-cyclopentyl-1H-pyrimidin-6-one has a molecular weight of 275.74 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-pyridinyl)-4-cyclopentyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136847785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).