2-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one

C15H19N3O2 — CID 62668973

IUPAC2-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CNC2(CO)CCCC2)nc2ccccn12
InChIInChI=1S/C15H19N3O2/c19-11-15(6-2-3-7-15)16-10-12-9-14(20)18-8-4-1-5-13(18)17-12/h1,4-5,8-9,16,19H,2-3,6-7,10-11H2
InChIKeyMJYHAPLLEOFLJD-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.09
Rot. Bonds4

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

2-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 62668973) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID62668973
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CNC2(CO)CCCC2)nc2ccccn12
InChIInChI=1S/C15H19N3O2/c19-11-15(6-2-3-7-15)16-10-12-9-14(20)18-8-4-1-5-13(18)17-12/h1,4-5,8-9,16,19H,2-3,6-7,10-11H2
InChIKeyMJYHAPLLEOFLJD-UHFFFAOYSA-N
XLogP1.09
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 62668973) is 2-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one is O=c1cc(CNC2(CO)CCCC2)nc2ccccn12.
What is the InChIKey of 2-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is MJYHAPLLEOFLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c19-11-15(6-2-3-7-15)16-10-12-9-14(20)18-8-4-1-5-13(18)17-12/h1,4-5,8-9,16,19H,2-3,6-7,10-11H2.
What are the key properties of 2-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 273.34 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 62668973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).