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

C24H24F3N3O4 — CID 135863579

IUPAC2-[4-(trifluoromethyl)phenyl]-7-[(2,4,6-trimethoxyphenyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCOc1cc(OC)c(CN2CCc3c(nc(-c4ccc(C(F)(F)F)cc4)[nH]c3=O)C2)c(OC)c1
InChIInChI=1S/C24H24F3N3O4/c1-32-16-10-20(33-2)18(21(11-16)34-3)12-30-9-8-17-19(13-30)28-22(29-23(17)31)14-4-6-15(7-5-14)24(25,26)27/h4-7,10-11H,8-9,12-13H2,1-3H3,(H,28,29,31)
InChIKeyUFQIBEHNEHPUNX-UHFFFAOYSA-N
MW475.47 g/mol
LogP4.04
Rot. Bonds6

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

2-[4-(trifluoromethyl)phenyl]-7-[(2,4,6-trimethoxyphenyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 135863579) has the molecular formula C24H24F3N3O4 and a molecular weight of 475.47 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenyl]-7-[(2,4,6-trimethoxyphenyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenyl]-7-[(2,4,6-trimethoxyphenyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID135863579
Molecular FormulaC24H24F3N3O4
Molecular Weight475.47 g/mol
Exact Mass475.17
IUPAC Name2-[4-(trifluoromethyl)phenyl]-7-[(2,4,6-trimethoxyphenyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCOc1cc(OC)c(CN2CCc3c(nc(-c4ccc(C(F)(F)F)cc4)[nH]c3=O)C2)c(OC)c1
InChIInChI=1S/C24H24F3N3O4/c1-32-16-10-20(33-2)18(21(11-16)34-3)12-30-9-8-17-19(13-30)28-22(29-23(17)31)14-4-6-15(7-5-14)24(25,26)27/h4-7,10-11H,8-9,12-13H2,1-3H3,(H,28,29,31)
InChIKeyUFQIBEHNEHPUNX-UHFFFAOYSA-N
XLogP4.04
TPSA76.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.47
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-Cyclopropylmethyl-2-(2,4-dimethoxy-phenyl)-5-dipropylamino-6-methyl-3H-pyrimidin-4-one
CID 44318102
2-(2,4-Dimethoxy-phenyl)-5-dipropylamino-3-ethyl-6-methyl-3H-pyrimidin-4-one
CID 22324329
2-(2,4-Dimethoxy-phenyl)-5-dipropylamino-3,6-dimethyl-3H-pyrimidin-4-one
CID 22324333
2-(2,4-Dimethoxy-phenyl)-5-dipropylamino-6-methyl-3-propyl-3H-pyrimidin-4-one
CID 22324337
2-(2-Difluoromethoxy-6-methoxy-phenyl)-5-dipropylamino-3-ethyl-6-methyl-3H-pyrimidin-4-one
CID 44462209
2-(2,4-Dimethoxy-phenyl)-5-dipropylamino-3-(2-methoxy-ethyl)-6-methyl-3H-pyrimidin-4-one
CID 44318123
2-(2,6-dimethoxyphenyl)-5-(dipropylamino)-4-methyl-1H-pyrimidin-6-one
CID 135553001
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-(3-Fluoro-4-methylbenzoyl)-2-(4-methoxyphenyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136251462
2-(4-Methoxyphenyl)-7-[2-(trifluoromethoxy)benzoyl]-1H,4H,5H,6H,7H,8H-pyrido[3,4-D]pyrimidin-4-one
CID 136339001
"N-(3-fluorobenzyl)-2-(4-methoxyphenyl)-4-oxo-4,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7(1H)-carboxamide"
CID 136339009

Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenyl]-7-[(2,4,6-trimethoxyphenyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-[4-(trifluoromethyl)phenyl]-7-[(2,4,6-trimethoxyphenyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 135863579) is 2-[4-(trifluoromethyl)phenyl]-7-[(2,4,6-trimethoxyphenyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenyl]-7-[(2,4,6-trimethoxyphenyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-[4-(trifluoromethyl)phenyl]-7-[(2,4,6-trimethoxyphenyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is COc1cc(OC)c(CN2CCc3c(nc(-c4ccc(C(F)(F)F)cc4)[nH]c3=O)C2)c(OC)c1.
What is the InChIKey of 2-[4-(trifluoromethyl)phenyl]-7-[(2,4,6-trimethoxyphenyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is UFQIBEHNEHPUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3O4/c1-32-16-10-20(33-2)18(21(11-16)34-3)12-30-9-8-17-19(13-30)28-22(29-23(17)31)14-4-6-15(7-5-14)24(25,26)27/h4-7,10-11H,8-9,12-13H2,1-3H3,(H,28,29,31).
What are the key properties of 2-[4-(trifluoromethyl)phenyl]-7-[(2,4,6-trimethoxyphenyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
2-[4-(trifluoromethyl)phenyl]-7-[(2,4,6-trimethoxyphenyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 475.47 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenyl]-7-[(2,4,6-trimethoxyphenyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135863579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).