1-[3-[5-chloro-2-(methylamino)pyrimidin-4-yl]phenyl]pyridin-2-one

C16H13ClN4O — CID 172592255

IUPAC1-[3-[5-chloro-2-(methylamino)pyrimidin-4-yl]phenyl]pyridin-2-one
SMILESCNc1ncc(Cl)c(-c2cccc(-n3ccccc3=O)c2)n1
InChIInChI=1S/C16H13ClN4O/c1-18-16-19-10-13(17)15(20-16)11-5-4-6-12(9-11)21-8-3-2-7-14(21)22/h2-10H,1H3,(H,18,19,20)
InChIKeyHQSWFONXINAYEE-UHFFFAOYSA-N
MW312.76 g/mol
LogP2.99
Rot. Bonds3

About 1-[3-[5-chloro-2-(methylamino)pyrimidin-4-yl]phenyl]pyridin-2-one

1-[3-[5-chloro-2-(methylamino)pyrimidin-4-yl]phenyl]pyridin-2-one (PubChem CID 172592255) has the molecular formula C16H13ClN4O and a molecular weight of 312.76 g/mol. Its IUPAC name is 1-[3-[5-chloro-2-(methylamino)pyrimidin-4-yl]phenyl]pyridin-2-one.

Molecular Properties

Compound Name1-[3-[5-chloro-2-(methylamino)pyrimidin-4-yl]phenyl]pyridin-2-one
PubChem CID172592255
Molecular FormulaC16H13ClN4O
Molecular Weight312.76 g/mol
Exact Mass312.08
IUPAC Name1-[3-[5-chloro-2-(methylamino)pyrimidin-4-yl]phenyl]pyridin-2-one
SMILESCNc1ncc(Cl)c(-c2cccc(-n3ccccc3=O)c2)n1
InChIInChI=1S/C16H13ClN4O/c1-18-16-19-10-13(17)15(20-16)11-5-4-6-12(9-11)21-8-3-2-7-14(21)22/h2-10H,1H3,(H,18,19,20)
InChIKeyHQSWFONXINAYEE-UHFFFAOYSA-N
XLogP2.99
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-chloro-2-(methylamino)pyrimidin-4-yl]phenyl]pyridin-2-one?
The IUPAC name of 1-[3-[5-chloro-2-(methylamino)pyrimidin-4-yl]phenyl]pyridin-2-one (CID 172592255) is 1-[3-[5-chloro-2-(methylamino)pyrimidin-4-yl]phenyl]pyridin-2-one.
What is the SMILES notation for 1-[3-[5-chloro-2-(methylamino)pyrimidin-4-yl]phenyl]pyridin-2-one?
The canonical SMILES for 1-[3-[5-chloro-2-(methylamino)pyrimidin-4-yl]phenyl]pyridin-2-one is CNc1ncc(Cl)c(-c2cccc(-n3ccccc3=O)c2)n1.
What is the InChIKey of 1-[3-[5-chloro-2-(methylamino)pyrimidin-4-yl]phenyl]pyridin-2-one?
The InChIKey is HQSWFONXINAYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O/c1-18-16-19-10-13(17)15(20-16)11-5-4-6-12(9-11)21-8-3-2-7-14(21)22/h2-10H,1H3,(H,18,19,20).
What are the key properties of 1-[3-[5-chloro-2-(methylamino)pyrimidin-4-yl]phenyl]pyridin-2-one?
1-[3-[5-chloro-2-(methylamino)pyrimidin-4-yl]phenyl]pyridin-2-one has a molecular weight of 312.76 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-chloro-2-(methylamino)pyrimidin-4-yl]phenyl]pyridin-2-one is sourced from PubChem (CID 172592255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).