2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

C14H17N3O2 — CID 62014353

IUPAC2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CN2CCCC2CO)nc2ccccn12
InChIInChI=1S/C14H17N3O2/c18-10-12-4-3-6-16(12)9-11-8-14(19)17-7-2-1-5-13(17)15-11/h1-2,5,7-8,12,18H,3-4,6,9-10H2
InChIKeyKOUCZDAKDZTGFM-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.65
Rot. Bonds3

About 2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 62014353) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID62014353
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CN2CCCC2CO)nc2ccccn12
InChIInChI=1S/C14H17N3O2/c18-10-12-4-3-6-16(12)9-11-8-14(19)17-7-2-1-5-13(17)15-11/h1-2,5,7-8,12,18H,3-4,6,9-10H2
InChIKeyKOUCZDAKDZTGFM-UHFFFAOYSA-N
XLogP0.65
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 62014353) is 2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is O=c1cc(CN2CCCC2CO)nc2ccccn12.
What is the InChIKey of 2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is KOUCZDAKDZTGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c18-10-12-4-3-6-16(12)9-11-8-14(19)17-7-2-1-5-13(17)15-11/h1-2,5,7-8,12,18H,3-4,6,9-10H2.
What are the key properties of 2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 259.31 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 62014353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).