2-[[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one

C22H20ClN3O2 — CID 8720907

IUPAC2-[[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2nc(CN(C)Cc3ccc(-c4ccc(Cl)cc4)o3)cc(=O)n12
InChIInChI=1S/C22H20ClN3O2/c1-15-4-3-5-21-24-18(12-22(27)26(15)21)13-25(2)14-19-10-11-20(28-19)16-6-8-17(23)9-7-16/h3-12H,13-14H2,1-2H3
InChIKeyKBHVPIVKAZRTSC-UHFFFAOYSA-N
MW393.87 g/mol
LogP4.55
Rot. Bonds5

About 2-[[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one

2-[[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 8720907) has the molecular formula C22H20ClN3O2 and a molecular weight of 393.87 g/mol. Its IUPAC name is 2-[[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID8720907
Molecular FormulaC22H20ClN3O2
Molecular Weight393.87 g/mol
Exact Mass393.12
IUPAC Name2-[[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2nc(CN(C)Cc3ccc(-c4ccc(Cl)cc4)o3)cc(=O)n12
InChIInChI=1S/C22H20ClN3O2/c1-15-4-3-5-21-24-18(12-22(27)26(15)21)13-25(2)14-19-10-11-20(28-19)16-6-8-17(23)9-7-16/h3-12H,13-14H2,1-2H3
InChIKeyKBHVPIVKAZRTSC-UHFFFAOYSA-N
XLogP4.55
TPSA50.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

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
6-methyl-2-[[methyl(2-phenylpropan-2-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 126817460
[(1R)-1-(4-chlorophenyl)ethyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium
CID 8710607
[(1S)-1-(4-chlorophenyl)ethyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium
CID 8710605
2-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 8552516
2-benzyl-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 11470702
1-[5-(4-chlorophenyl)furan-2-yl]-N,N-dimethylmethanamine;hydrochloride
CID 131862742
2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanylmethyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 51174039
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methylprop-2-yn-1-amine
CID 21388068
2-[[cyclohexyl(2-hydroxypropyl)amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 111103334
2-(3-chlorophenyl)-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 10540006

Frequently Asked Questions

What is the IUPAC name of 2-[[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one (CID 8720907) is 2-[[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one is Cc1cccc2nc(CN(C)Cc3ccc(-c4ccc(Cl)cc4)o3)cc(=O)n12.
What is the InChIKey of 2-[[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is KBHVPIVKAZRTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O2/c1-15-4-3-5-21-24-18(12-22(27)26(15)21)13-25(2)14-19-10-11-20(28-19)16-6-8-17(23)9-7-16/h3-12H,13-14H2,1-2H3.
What are the key properties of 2-[[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
2-[[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 393.87 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 8720907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).