9-methyl-2-[[methyl(oxan-2-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one

C17H23N3O2 — CID 56818277

IUPAC9-methyl-2-[[methyl(oxan-2-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)cc(CN(C)CC3CCCCO3)nc12
InChIInChI=1S/C17H23N3O2/c1-13-6-5-8-20-16(21)10-14(18-17(13)20)11-19(2)12-15-7-3-4-9-22-15/h5-6,8,10,15H,3-4,7,9,11-12H2,1-2H3
InChIKeyIRICAPYBALWTPW-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.00
Rot. Bonds4

About 9-methyl-2-[[methyl(oxan-2-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one

9-methyl-2-[[methyl(oxan-2-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 56818277) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 9-methyl-2-[[methyl(oxan-2-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-methyl-2-[[methyl(oxan-2-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID56818277
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name9-methyl-2-[[methyl(oxan-2-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)cc(CN(C)CC3CCCCO3)nc12
InChIInChI=1S/C17H23N3O2/c1-13-6-5-8-20-16(21)10-14(18-17(13)20)11-19(2)12-15-7-3-4-9-22-15/h5-6,8,10,15H,3-4,7,9,11-12H2,1-2H3
InChIKeyIRICAPYBALWTPW-UHFFFAOYSA-N
XLogP2.00
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-methyl-2-[[methyl(oxan-2-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

7-methyl-2-[[methyl-[[(2R)-oxan-2-yl]methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 95580774
[8-methyl-3-[[methyl-[[(2R)-oxan-2-yl]methyl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone
CID 42290003
2-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 119928920
2-[cyclopentyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetamide
CID 47056018
9-methyl-2-[(N,3,5-trimethylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60524914
2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 60510332
N-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-(oxan-2-yl)methanamine
CID 155799698
9-methyl-2-[[1-(oxolan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 42933006
9-methyl-2-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 42894012
2-methyl-2-[methyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]propanoic acid
CID 62820894
9-methyl-2-[[methyl-[(1S)-1-phenylethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 92804654
2-[ethyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetic acid
CID 61013216

Frequently Asked Questions

What is the IUPAC name of 9-methyl-2-[[methyl(oxan-2-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-methyl-2-[[methyl(oxan-2-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 56818277) is 9-methyl-2-[[methyl(oxan-2-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-methyl-2-[[methyl(oxan-2-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-methyl-2-[[methyl(oxan-2-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one is Cc1cccn2c(=O)cc(CN(C)CC3CCCCO3)nc12.
What is the InChIKey of 9-methyl-2-[[methyl(oxan-2-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is IRICAPYBALWTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-13-6-5-8-20-16(21)10-14(18-17(13)20)11-19(2)12-15-7-3-4-9-22-15/h5-6,8,10,15H,3-4,7,9,11-12H2,1-2H3.
What are the key properties of 9-methyl-2-[[methyl(oxan-2-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
9-methyl-2-[[methyl(oxan-2-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 301.39 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2-[[methyl(oxan-2-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 56818277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).