1-(4-chloro-2-methylpyrido[3,2-d]pyrimidin-6-yl)pyrrolidin-2-one

C12H11ClN4O — CID 178130696

IUPAC1-(4-chloro-2-methylpyrido[3,2-d]pyrimidin-6-yl)pyrrolidin-2-one
SMILESCc1nc(Cl)c2nc(N3CCCC3=O)ccc2n1
InChIInChI=1S/C12H11ClN4O/c1-7-14-8-4-5-9(16-11(8)12(13)15-7)17-6-2-3-10(17)18/h4-5H,2-3,6H2,1H3
InChIKeyHNBAEBAUCRFQCB-UHFFFAOYSA-N
MW262.70 g/mol
LogP2.11
Rot. Bonds1

About 1-(4-chloro-2-methylpyrido[3,2-d]pyrimidin-6-yl)pyrrolidin-2-one

1-(4-chloro-2-methylpyrido[3,2-d]pyrimidin-6-yl)pyrrolidin-2-one (PubChem CID 178130696) has the molecular formula C12H11ClN4O and a molecular weight of 262.70 g/mol. Its IUPAC name is 1-(4-chloro-2-methylpyrido[3,2-d]pyrimidin-6-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-chloro-2-methylpyrido[3,2-d]pyrimidin-6-yl)pyrrolidin-2-one
PubChem CID178130696
Molecular FormulaC12H11ClN4O
Molecular Weight262.70 g/mol
Exact Mass262.06
IUPAC Name1-(4-chloro-2-methylpyrido[3,2-d]pyrimidin-6-yl)pyrrolidin-2-one
SMILESCc1nc(Cl)c2nc(N3CCCC3=O)ccc2n1
InChIInChI=1S/C12H11ClN4O/c1-7-14-8-4-5-9(16-11(8)12(13)15-7)17-6-2-3-10(17)18/h4-5H,2-3,6H2,1H3
InChIKeyHNBAEBAUCRFQCB-UHFFFAOYSA-N
XLogP2.11
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methylpyrido[3,2-d]pyrimidin-6-yl)pyrrolidin-2-one?
The IUPAC name of 1-(4-chloro-2-methylpyrido[3,2-d]pyrimidin-6-yl)pyrrolidin-2-one (CID 178130696) is 1-(4-chloro-2-methylpyrido[3,2-d]pyrimidin-6-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(4-chloro-2-methylpyrido[3,2-d]pyrimidin-6-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(4-chloro-2-methylpyrido[3,2-d]pyrimidin-6-yl)pyrrolidin-2-one is Cc1nc(Cl)c2nc(N3CCCC3=O)ccc2n1.
What is the InChIKey of 1-(4-chloro-2-methylpyrido[3,2-d]pyrimidin-6-yl)pyrrolidin-2-one?
The InChIKey is HNBAEBAUCRFQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O/c1-7-14-8-4-5-9(16-11(8)12(13)15-7)17-6-2-3-10(17)18/h4-5H,2-3,6H2,1H3.
What are the key properties of 1-(4-chloro-2-methylpyrido[3,2-d]pyrimidin-6-yl)pyrrolidin-2-one?
1-(4-chloro-2-methylpyrido[3,2-d]pyrimidin-6-yl)pyrrolidin-2-one has a molecular weight of 262.70 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methylpyrido[3,2-d]pyrimidin-6-yl)pyrrolidin-2-one is sourced from PubChem (CID 178130696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).