2-[[1-cyclopropylethyl(methyl)amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

C16H21N3O — CID 47020959

IUPAC2-[[1-cyclopropylethyl(methyl)amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(CN(C)C(C)C3CC3)cc(=O)n2c1
InChIInChI=1S/C16H21N3O/c1-11-4-7-15-17-14(8-16(20)19(15)9-11)10-18(3)12(2)13-5-6-13/h4,7-9,12-13H,5-6,10H2,1-3H3
InChIKeyGTFHZNPAGKKCJL-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.23
Rot. Bonds4

About 2-[[1-cyclopropylethyl(methyl)amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

2-[[1-cyclopropylethyl(methyl)amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 47020959) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[[1-cyclopropylethyl(methyl)amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[1-cyclopropylethyl(methyl)amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID47020959
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-[[1-cyclopropylethyl(methyl)amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(CN(C)C(C)C3CC3)cc(=O)n2c1
InChIInChI=1S/C16H21N3O/c1-11-4-7-15-17-14(8-16(20)19(15)9-11)10-18(3)12(2)13-5-6-13/h4,7-9,12-13H,5-6,10H2,1-3H3
InChIKeyGTFHZNPAGKKCJL-UHFFFAOYSA-N
XLogP2.23
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-cyclopropylethyl(methyl)amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[1-cyclopropylethyl(methyl)amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (CID 47020959) is 2-[[1-cyclopropylethyl(methyl)amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[1-cyclopropylethyl(methyl)amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[1-cyclopropylethyl(methyl)amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is Cc1ccc2nc(CN(C)C(C)C3CC3)cc(=O)n2c1.
What is the InChIKey of 2-[[1-cyclopropylethyl(methyl)amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is GTFHZNPAGKKCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11-4-7-15-17-14(8-16(20)19(15)9-11)10-18(3)12(2)13-5-6-13/h4,7-9,12-13H,5-6,10H2,1-3H3.
What are the key properties of 2-[[1-cyclopropylethyl(methyl)amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
2-[[1-cyclopropylethyl(methyl)amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 271.36 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-cyclopropylethyl(methyl)amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 47020959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).