7-methyl-2-[[methyl-[[(2R)-oxan-2-yl]methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one

C17H23N3O2 — CID 95580774

IUPAC7-methyl-2-[[methyl-[[(2R)-oxan-2-yl]methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(CN(C)C[C@H]3CCCCO3)cc(=O)n2c1
InChIInChI=1S/C17H23N3O2/c1-13-6-7-16-18-14(9-17(21)20(16)10-13)11-19(2)12-15-5-3-4-8-22-15/h6-7,9-10,15H,3-5,8,11-12H2,1-2H3/t15-/m1/s1
InChIKeyHBDHAGQLFJHLOE-OAHLLOKOSA-N
MW301.39 g/mol
LogP2.00
Rot. Bonds4

About 7-methyl-2-[[methyl-[[(2R)-oxan-2-yl]methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one

7-methyl-2-[[methyl-[[(2R)-oxan-2-yl]methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 95580774) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 7-methyl-2-[[methyl-[[(2R)-oxan-2-yl]methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-methyl-2-[[methyl-[[(2R)-oxan-2-yl]methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID95580774
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name7-methyl-2-[[methyl-[[(2R)-oxan-2-yl]methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(CN(C)C[C@H]3CCCCO3)cc(=O)n2c1
InChIInChI=1S/C17H23N3O2/c1-13-6-7-16-18-14(9-17(21)20(16)10-13)11-19(2)12-15-5-3-4-8-22-15/h6-7,9-10,15H,3-5,8,11-12H2,1-2H3/t15-/m1/s1
InChIKeyHBDHAGQLFJHLOE-OAHLLOKOSA-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 7-methyl-2-[[methyl-[[(2R)-oxan-2-yl]methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

7-methyl-2-[[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 9055397
9-methyl-2-[[methyl(oxan-2-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 56818277
2-[[(2-chlorophenyl)methyl-methylamino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 46801667
7-chloro-2-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 47026029
N-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-(oxan-2-yl)methanamine
CID 155799698
7-methyl-2-[[methyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 50787830
formic acid;2-methyl-5-[[methyl(oxolan-2-ylmethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 154907170
2-[[(4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 11931326
7-methyl-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054645
N-[2-(dimethylamino)ethyl]-3-fluoro-6-methyl-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 131891298
7-methyl-2-[[4-(methylamino)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 119923563
N-[(6-chloroquinolin-2-yl)methyl]-N-methyl-1-(oxan-2-yl)methanamine
CID 77080814

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[[methyl-[[(2R)-oxan-2-yl]methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-methyl-2-[[methyl-[[(2R)-oxan-2-yl]methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 95580774) is 7-methyl-2-[[methyl-[[(2R)-oxan-2-yl]methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-methyl-2-[[methyl-[[(2R)-oxan-2-yl]methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-methyl-2-[[methyl-[[(2R)-oxan-2-yl]methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one is Cc1ccc2nc(CN(C)C[C@H]3CCCCO3)cc(=O)n2c1.
What is the InChIKey of 7-methyl-2-[[methyl-[[(2R)-oxan-2-yl]methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is HBDHAGQLFJHLOE-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-13-6-7-16-18-14(9-17(21)20(16)10-13)11-19(2)12-15-5-3-4-8-22-15/h6-7,9-10,15H,3-5,8,11-12H2,1-2H3/t15-/m1/s1.
What are the key properties of 7-methyl-2-[[methyl-[[(2R)-oxan-2-yl]methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
7-methyl-2-[[methyl-[[(2R)-oxan-2-yl]methyl]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 7-methyl-2-[[methyl-[[(2R)-oxan-2-yl]methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 95580774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).