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

C18H20F3N3O3 — CID 135863726

IUPAC7-[(2,4-dimethoxy-6-methylphenyl)methyl]-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCOc1cc(C)c(CN2CCc3c(nc(C(F)(F)F)[nH]c3=O)C2)c(OC)c1
InChIInChI=1S/C18H20F3N3O3/c1-10-6-11(26-2)7-15(27-3)13(10)8-24-5-4-12-14(9-24)22-17(18(19,20)21)23-16(12)25/h6-7H,4-5,8-9H2,1-3H3,(H,22,23,25)
InChIKeyGVJWVDJSSQCVIY-UHFFFAOYSA-N
MW383.37 g/mol
LogP2.67
Rot. Bonds4

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

7-[(2,4-dimethoxy-6-methylphenyl)methyl]-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 135863726) has the molecular formula C18H20F3N3O3 and a molecular weight of 383.37 g/mol. Its IUPAC name is 7-[(2,4-dimethoxy-6-methylphenyl)methyl]-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[(2,4-dimethoxy-6-methylphenyl)methyl]-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID135863726
Molecular FormulaC18H20F3N3O3
Molecular Weight383.37 g/mol
Exact Mass383.15
IUPAC Name7-[(2,4-dimethoxy-6-methylphenyl)methyl]-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCOc1cc(C)c(CN2CCc3c(nc(C(F)(F)F)[nH]c3=O)C2)c(OC)c1
InChIInChI=1S/C18H20F3N3O3/c1-10-6-11(26-2)7-15(27-3)13(10)8-24-5-4-12-14(9-24)22-17(18(19,20)21)23-16(12)25/h6-7H,4-5,8-9H2,1-3H3,(H,22,23,25)
InChIKeyGVJWVDJSSQCVIY-UHFFFAOYSA-N
XLogP2.67
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dimethoxyphenyl)-5-(dipropylamino)-4-methyl-1H-pyrimidin-6-one
CID 135553004
2-[2-(difluoromethoxy)-6-methoxyphenyl]-5-(dipropylamino)-4-methyl-1H-pyrimidin-6-one
CID 136186042
7-[(2,4-Dimethoxyphenyl)methyl]-2-(4-methylpiperazin-1-YL)-3H,4H,5H,6H,7H,8H,9H-pyrimido[4,5-D]azepin-4-one
CID 136665512
N-[1-[2-methoxy-4-(trifluoromethoxy)phenyl]ethyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide
CID 136982828
7-[(2-Hydroxy-4-methoxyphenyl)methyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135674534
7-[(2,4-Dimethoxyphenyl)methyl]-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135719702
7-[(2,3-Dimethoxyphenyl)methyl]-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135863406
7-[(4-Methoxy-2,3-dimethylphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135863419
7-[(4-Methoxy-2,3-dimethylphenyl)methyl]-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135863426
7-[(2,3-Dimethylphenoxy)methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135863439
7-[(2,3-Dimethylphenoxy)methyl]-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135863446
2-[4-(Trifluoromethyl)phenyl]-7-[(2,4,5-trimethoxyphenyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135863539

Frequently Asked Questions

What is the IUPAC name of 7-[(2,4-dimethoxy-6-methylphenyl)methyl]-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-[(2,4-dimethoxy-6-methylphenyl)methyl]-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 135863726) is 7-[(2,4-dimethoxy-6-methylphenyl)methyl]-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-[(2,4-dimethoxy-6-methylphenyl)methyl]-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-[(2,4-dimethoxy-6-methylphenyl)methyl]-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is COc1cc(C)c(CN2CCc3c(nc(C(F)(F)F)[nH]c3=O)C2)c(OC)c1.
What is the InChIKey of 7-[(2,4-dimethoxy-6-methylphenyl)methyl]-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is GVJWVDJSSQCVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O3/c1-10-6-11(26-2)7-15(27-3)13(10)8-24-5-4-12-14(9-24)22-17(18(19,20)21)23-16(12)25/h6-7H,4-5,8-9H2,1-3H3,(H,22,23,25).
What are the key properties of 7-[(2,4-dimethoxy-6-methylphenyl)methyl]-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
7-[(2,4-dimethoxy-6-methylphenyl)methyl]-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 383.37 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,4-dimethoxy-6-methylphenyl)methyl]-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135863726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).