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

C19H18F3N3O2 — CID 46643311

IUPAC9-methyl-2-[[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)cc(CN(C)Cc3ccccc3OC(F)(F)F)nc12
InChIInChI=1S/C19H18F3N3O2/c1-13-6-5-9-25-17(26)10-15(23-18(13)25)12-24(2)11-14-7-3-4-8-16(14)27-19(20,21)22/h3-10H,11-12H2,1-2H3
InChIKeyRKSWJNGLTBEGDK-UHFFFAOYSA-N
MW377.37 g/mol
LogP3.53
Rot. Bonds5

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

9-methyl-2-[[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 46643311) has the molecular formula C19H18F3N3O2 and a molecular weight of 377.37 g/mol. Its IUPAC name is 9-methyl-2-[[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-methyl-2-[[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID46643311
Molecular FormulaC19H18F3N3O2
Molecular Weight377.37 g/mol
Exact Mass377.14
IUPAC Name9-methyl-2-[[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)cc(CN(C)Cc3ccccc3OC(F)(F)F)nc12
InChIInChI=1S/C19H18F3N3O2/c1-13-6-5-9-25-17(26)10-15(23-18(13)25)12-24(2)11-14-7-3-4-8-16(14)27-19(20,21)22/h3-10H,11-12H2,1-2H3
InChIKeyRKSWJNGLTBEGDK-UHFFFAOYSA-N
XLogP3.53
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(Trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyrimidin-4-ol
CID 135419003
6-(Methoxymethyl)-2-[2-(trifluoromethoxy)phenyl]-4-pyrimidinol
CID 135444409
2-(2,6-Dimethoxy-phenyl)-5-dipropylamino-3-ethyl-6-methyl-3H-pyrimidin-4-one
CID 22324325
2-(2,6-Dimethoxy-phenyl)-5-dipropylamino-3,6-dimethyl-3H-pyrimidin-4-one
CID 22324332
2-(4-methoxyphenyl)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 10848404
5-Dipropylamino-3-(2-fluoro-ethyl)-2-(2-methoxy-4,6-dimethyl-phenyl)-6-methyl-3H-pyrimidin-4-one
CID 44318168
2-(2-Difluoromethoxy-6-methoxy-phenyl)-5-dipropylamino-3-ethyl-6-methyl-3H-pyrimidin-4-one
CID 44462209
2-hydroxy-N-[(2-methoxyphenyl)methyl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135458478
6-Methyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-ol
CID 135419018
5-Chloro-6-methyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-ol
CID 135470205
N-[(2-Methoxyphenyl)methyl]-4-oxo-4H-pyrido[1,2-A]pyrimidine-3-carboxamide
CID 5310426
5-Dipropylamino-2-(2-methoxy-4,6-dimethyl-phenyl)-6-methyl-3-(2,2,2-trifluoro-ethyl)-3H-pyrimidin-4-one
CID 44462061

Frequently Asked Questions

What is the IUPAC name of 9-methyl-2-[[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-methyl-2-[[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 46643311) is 9-methyl-2-[[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-methyl-2-[[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-methyl-2-[[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one is Cc1cccn2c(=O)cc(CN(C)Cc3ccccc3OC(F)(F)F)nc12.
What is the InChIKey of 9-methyl-2-[[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is RKSWJNGLTBEGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O2/c1-13-6-5-9-25-17(26)10-15(23-18(13)25)12-24(2)11-14-7-3-4-8-16(14)27-19(20,21)22/h3-10H,11-12H2,1-2H3.
What are the key properties of 9-methyl-2-[[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
9-methyl-2-[[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 377.37 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2-[[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 46643311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).