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

C15H20N4O — CID 63299949

IUPAC2-[[ethyl(pyrrolidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCCN(Cc1cc(=O)n2ccccc2n1)C1CCNC1
InChIInChI=1S/C15H20N4O/c1-2-18(13-6-7-16-10-13)11-12-9-15(20)19-8-4-3-5-14(19)17-12/h3-5,8-9,13,16H,2,6-7,10-11H2,1H3
InChIKeySMTUPJGEHYMUIX-UHFFFAOYSA-N
MW272.35 g/mol
LogP0.88
Rot. Bonds4

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

2-[[ethyl(pyrrolidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 63299949) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[[ethyl(pyrrolidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[ethyl(pyrrolidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID63299949
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-[[ethyl(pyrrolidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCCN(Cc1cc(=O)n2ccccc2n1)C1CCNC1
InChIInChI=1S/C15H20N4O/c1-2-18(13-6-7-16-10-13)11-12-9-15(20)19-8-4-3-5-14(19)17-12/h3-5,8-9,13,16H,2,6-7,10-11H2,1H3
InChIKeySMTUPJGEHYMUIX-UHFFFAOYSA-N
XLogP0.88
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(pyrrolidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[ethyl(pyrrolidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 63299949) is 2-[[ethyl(pyrrolidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[ethyl(pyrrolidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[ethyl(pyrrolidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one is CCN(Cc1cc(=O)n2ccccc2n1)C1CCNC1.
What is the InChIKey of 2-[[ethyl(pyrrolidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is SMTUPJGEHYMUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-2-18(13-6-7-16-10-13)11-12-9-15(20)19-8-4-3-5-14(19)17-12/h3-5,8-9,13,16H,2,6-7,10-11H2,1H3.
What are the key properties of 2-[[ethyl(pyrrolidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[ethyl(pyrrolidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 272.35 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(pyrrolidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 63299949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).