2-[[(1-methylpyrrolidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one

C14H18N4O — CID 62670895

IUPAC2-[[(1-methylpyrrolidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCN1CCC(NCc2cc(=O)n3ccccc3n2)C1
InChIInChI=1S/C14H18N4O/c1-17-7-5-11(10-17)15-9-12-8-14(19)18-6-3-2-4-13(18)16-12/h2-4,6,8,11,15H,5,7,9-10H2,1H3
InChIKeyRAHZBRWPCNWDBG-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.49
Rot. Bonds3

About 2-[[(1-methylpyrrolidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one

2-[[(1-methylpyrrolidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 62670895) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[[(1-methylpyrrolidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[(1-methylpyrrolidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID62670895
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-[[(1-methylpyrrolidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCN1CCC(NCc2cc(=O)n3ccccc3n2)C1
InChIInChI=1S/C14H18N4O/c1-17-7-5-11(10-17)15-9-12-8-14(19)18-6-3-2-4-13(18)16-12/h2-4,6,8,11,15H,5,7,9-10H2,1H3
InChIKeyRAHZBRWPCNWDBG-UHFFFAOYSA-N
XLogP0.49
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1-methylpyrrolidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[(1-methylpyrrolidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 62670895) is 2-[[(1-methylpyrrolidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[(1-methylpyrrolidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[(1-methylpyrrolidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one is CN1CCC(NCc2cc(=O)n3ccccc3n2)C1.
What is the InChIKey of 2-[[(1-methylpyrrolidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is RAHZBRWPCNWDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-17-7-5-11(10-17)15-9-12-8-14(19)18-6-3-2-4-13(18)16-12/h2-4,6,8,11,15H,5,7,9-10H2,1H3.
What are the key properties of 2-[[(1-methylpyrrolidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[(1-methylpyrrolidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 258.32 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-methylpyrrolidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 62670895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).