7-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C18H20F3N3O2 — CID 135863426

IUPAC7-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCOc1ccc(CN2CCc3c(nc(C(F)(F)F)[nH]c3=O)C2)c(C)c1C
InChIInChI=1S/C18H20F3N3O2/c1-10-11(2)15(26-3)5-4-12(10)8-24-7-6-13-14(9-24)22-17(18(19,20)21)23-16(13)25/h4-5H,6-9H2,1-3H3,(H,22,23,25)
InChIKeyICFWXDPCTQVPEL-UHFFFAOYSA-N
MW367.37 g/mol
LogP2.97
Rot. Bonds3

About 7-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

7-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 135863426) has the molecular formula C18H20F3N3O2 and a molecular weight of 367.37 g/mol. Its IUPAC name is 7-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID135863426
Molecular FormulaC18H20F3N3O2
Molecular Weight367.37 g/mol
Exact Mass367.15
IUPAC Name7-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCOc1ccc(CN2CCc3c(nc(C(F)(F)F)[nH]c3=O)C2)c(C)c1C
InChIInChI=1S/C18H20F3N3O2/c1-10-11(2)15(26-3)5-4-12(10)8-24-7-6-13-14(9-24)22-17(18(19,20)21)23-16(13)25/h4-5H,6-9H2,1-3H3,(H,22,23,25)
InChIKeyICFWXDPCTQVPEL-UHFFFAOYSA-N
XLogP2.97
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]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

5-Dipropylamino-2-(2-methoxy-4,6-dimethyl-phenyl)-6-methyl-3H-pyrimidin-4-one
CID 135553002
5-Dipropylamino-3-(2-fluoro-ethyl)-2-(2-methoxy-4,6-dimethyl-phenyl)-6-methyl-3H-pyrimidin-4-one
CID 44318168
5-Dipropylamino-6-ethyl-2-(2-methoxy-4,6-dimethyl-phenyl)-3H-pyrimidin-4-one
CID 136029158
5-Dipropylamino-2-(2-methoxy-4,6-dimethyl-phenyl)-6-methyl-3-(2,2,2-trifluoro-ethyl)-3H-pyrimidin-4-one
CID 44462061
2-(ethylamino)-9-methoxy-5,5-dimethyl-3-(2,2,2-trifluoroethyl)-6H-benzo[h]quinazolin-4-one
CID 71720836
2-(4-Methoxyphenyl)-7-propanoyl-1H,4H,5H,6H,7H,8H-pyrido[3,4-D]pyrimidin-4-one
CID 136112269
7-acetyl-2-(4-methoxyphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(1H)-one
CID 136112273
7-(2,2-Dimethylpropanoyl)-2-(4-methoxyphenyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136251459
2-(4-Methoxyphenyl)-7-(3-methylbutanoyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136251464
2-(4-methoxyphenyl)-7-(2-methylbutanoyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(1H)-one
CID 136339008
2-[[[4-(Difluoromethoxy)phenyl]methyl-methylamino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 8003640
6-(4-methoxy-2,3-dimethylbenzyl)-2-methyl-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 136230543

Frequently Asked Questions

What is the IUPAC name of 7-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 135863426) is 7-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is COc1ccc(CN2CCc3c(nc(C(F)(F)F)[nH]c3=O)C2)c(C)c1C.
What is the InChIKey of 7-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is ICFWXDPCTQVPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O2/c1-10-11(2)15(26-3)5-4-12(10)8-24-7-6-13-14(9-24)22-17(18(19,20)21)23-16(13)25/h4-5H,6-9H2,1-3H3,(H,22,23,25).
What are the key properties of 7-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
7-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 367.37 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135863426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).