2-pyrrolidin-1-yl-6H-pyrido[4,3-d]pyrimidin-5-one

C11H12N4O — CID 20867039

IUPAC2-pyrrolidin-1-yl-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESO=c1[nH]ccc2nc(N3CCCC3)ncc12
InChIInChI=1S/C11H12N4O/c16-10-8-7-13-11(15-5-1-2-6-15)14-9(8)3-4-12-10/h3-4,7H,1-2,5-6H2,(H,12,16)
InChIKeyVFDQBLHNJCPCCJ-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.92
Rot. Bonds1

About 2-pyrrolidin-1-yl-6H-pyrido[4,3-d]pyrimidin-5-one

2-pyrrolidin-1-yl-6H-pyrido[4,3-d]pyrimidin-5-one (PubChem CID 20867039) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-pyrrolidin-1-yl-6H-pyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-6H-pyrido[4,3-d]pyrimidin-5-one
PubChem CID20867039
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name2-pyrrolidin-1-yl-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESO=c1[nH]ccc2nc(N3CCCC3)ncc12
InChIInChI=1S/C11H12N4O/c16-10-8-7-13-11(15-5-1-2-6-15)14-9(8)3-4-12-10/h3-4,7H,1-2,5-6H2,(H,12,16)
InChIKeyVFDQBLHNJCPCCJ-UHFFFAOYSA-N
XLogP0.92
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-yl-6H-pyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 2-pyrrolidin-1-yl-6H-pyrido[4,3-d]pyrimidin-5-one (CID 20867039) is 2-pyrrolidin-1-yl-6H-pyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 2-pyrrolidin-1-yl-6H-pyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 2-pyrrolidin-1-yl-6H-pyrido[4,3-d]pyrimidin-5-one is O=c1[nH]ccc2nc(N3CCCC3)ncc12.
What is the InChIKey of 2-pyrrolidin-1-yl-6H-pyrido[4,3-d]pyrimidin-5-one?
The InChIKey is VFDQBLHNJCPCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c16-10-8-7-13-11(15-5-1-2-6-15)14-9(8)3-4-12-10/h3-4,7H,1-2,5-6H2,(H,12,16).
What are the key properties of 2-pyrrolidin-1-yl-6H-pyrido[4,3-d]pyrimidin-5-one?
2-pyrrolidin-1-yl-6H-pyrido[4,3-d]pyrimidin-5-one has a molecular weight of 216.24 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-yl-6H-pyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 20867039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).