2-[[cyclohexyl-[(4-fluorophenyl)methyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one

C23H26FN3O — CID 8710973

IUPAC2-[[cyclohexyl-[(4-fluorophenyl)methyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2nc(CN(Cc3ccc(F)cc3)C3CCCCC3)cc(=O)n12
InChIInChI=1S/C23H26FN3O/c1-17-6-5-9-22-25-20(14-23(28)27(17)22)16-26(21-7-3-2-4-8-21)15-18-10-12-19(24)13-11-18/h5-6,9-14,21H,2-4,7-8,15-16H2,1H3
InChIKeyCMFVJDNGUOJRKI-UHFFFAOYSA-N
MW379.48 g/mol
LogP4.48
Rot. Bonds5

About 2-[[cyclohexyl-[(4-fluorophenyl)methyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one

2-[[cyclohexyl-[(4-fluorophenyl)methyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 8710973) has the molecular formula C23H26FN3O and a molecular weight of 379.48 g/mol. Its IUPAC name is 2-[[cyclohexyl-[(4-fluorophenyl)methyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[cyclohexyl-[(4-fluorophenyl)methyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID8710973
Molecular FormulaC23H26FN3O
Molecular Weight379.48 g/mol
Exact Mass379.21
IUPAC Name2-[[cyclohexyl-[(4-fluorophenyl)methyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2nc(CN(Cc3ccc(F)cc3)C3CCCCC3)cc(=O)n12
InChIInChI=1S/C23H26FN3O/c1-17-6-5-9-22-25-20(14-23(28)27(17)22)16-26(21-7-3-2-4-8-21)15-18-10-12-19(24)13-11-18/h5-6,9-14,21H,2-4,7-8,15-16H2,1H3
InChIKeyCMFVJDNGUOJRKI-UHFFFAOYSA-N
XLogP4.48
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[[cyclohexyl-[(4-fluorophenyl)methyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

2-[[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 8915437
2-[[cyclohexyl(2-hydroxypropyl)amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 111103334
cyclohexyl-[(4-fluorophenyl)methyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium
CID 8710972
2-[[benzyl(methyl)amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 8541214
2-[[(4-tert-butylphenyl)methyl-methylamino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 8709404
7-bromo-2-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 8905082
2-benzyl-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 11470702
6-methyl-2-(piperidin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 47008628
2-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 8552516
4-[[cyclopropyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]methyl]benzamide
CID 42948155
N-ethyl-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]cyclohexanamine
CID 60503884
6-methyl-2-[[methyl(2-phenylpropan-2-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 126817460

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclohexyl-[(4-fluorophenyl)methyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[cyclohexyl-[(4-fluorophenyl)methyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one (CID 8710973) is 2-[[cyclohexyl-[(4-fluorophenyl)methyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[cyclohexyl-[(4-fluorophenyl)methyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[cyclohexyl-[(4-fluorophenyl)methyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one is Cc1cccc2nc(CN(Cc3ccc(F)cc3)C3CCCCC3)cc(=O)n12.
What is the InChIKey of 2-[[cyclohexyl-[(4-fluorophenyl)methyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is CMFVJDNGUOJRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O/c1-17-6-5-9-22-25-20(14-23(28)27(17)22)16-26(21-7-3-2-4-8-21)15-18-10-12-19(24)13-11-18/h5-6,9-14,21H,2-4,7-8,15-16H2,1H3.
What are the key properties of 2-[[cyclohexyl-[(4-fluorophenyl)methyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
2-[[cyclohexyl-[(4-fluorophenyl)methyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 379.48 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclohexyl-[(4-fluorophenyl)methyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 8710973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).