1-(4,6-dimethoxypyrimidin-2-yl)-3-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione

C15H12F3N5O4 — CID 101256300

IUPAC1-(4,6-dimethoxypyrimidin-2-yl)-3-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOc1cc(OC)nc(-n2c(=O)n(C)c(=O)c3ccc(C(F)(F)F)nc32)n1
InChIInChI=1S/C15H12F3N5O4/c1-22-12(24)7-4-5-8(15(16,17)18)19-11(7)23(14(22)25)13-20-9(26-2)6-10(21-13)27-3/h4-6H,1-3H3
InChIKeyQBLNRIDAPQOSCE-UHFFFAOYSA-N
MW383.29 g/mol
LogP0.91
Rot. Bonds3

About 1-(4,6-dimethoxypyrimidin-2-yl)-3-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione

1-(4,6-dimethoxypyrimidin-2-yl)-3-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 101256300) has the molecular formula C15H12F3N5O4 and a molecular weight of 383.29 g/mol. Its IUPAC name is 1-(4,6-dimethoxypyrimidin-2-yl)-3-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(4,6-dimethoxypyrimidin-2-yl)-3-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID101256300
Molecular FormulaC15H12F3N5O4
Molecular Weight383.29 g/mol
Exact Mass383.08
IUPAC Name1-(4,6-dimethoxypyrimidin-2-yl)-3-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOc1cc(OC)nc(-n2c(=O)n(C)c(=O)c3ccc(C(F)(F)F)nc32)n1
InChIInChI=1S/C15H12F3N5O4/c1-22-12(24)7-4-5-8(15(16,17)18)19-11(7)23(14(22)25)13-20-9(26-2)6-10(21-13)27-3/h4-6H,1-3H3
InChIKeyQBLNRIDAPQOSCE-UHFFFAOYSA-N
XLogP0.91
TPSA101.13 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.29
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-(4,6-dimethoxypyrimidin-2-yl)-3-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

Methyl 2-[carbamoyl-(4,6-dimethoxypyrimidin-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxylate
CID 100975558
2-[(4,6-Dimethoxypyrimidin-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 90730436
1-(4,6-Dimethoxypyrimidine-2-yl)-7-trifluoromethylpyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
CID 91140958
6-[2-[4-(4-Methoxypyrimidin-2-yl)piperazin-1-yl]ethyl]-2-(trifluoromethyl)-1,6-naphthyridin-5-one
CID 24735363
6-[[1-(4-Methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-2-(trifluoromethyl)-1,6-naphthyridin-5-one
CID 24735398
(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone
CID 99858606
(4-((2-Methoxypyrimidin-4-yl)oxy)piperidin-1-yl)(6-(trifluoromethyl)pyridin-3-yl)methanone
CID 121161493
(4-(Pyrimidin-4-yloxy)piperidin-1-yl)(6-(trifluoromethyl)pyridin-3-yl)methanone
CID 121162068
(4-((2-Methylpyrimidin-4-yl)oxy)piperidin-1-yl)(6-(trifluoromethyl)pyridin-3-yl)methanone
CID 121162644
(4-(6-Methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl)(6-(trifluoromethyl)pyridin-3-yl)methanone
CID 122332338
6-methoxy-N-{1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl}pyrimidin-4-amine
CID 126887940
N-cyclopropyl-6-methoxy-N-{1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl}pyrimidin-4-amine
CID 126891093

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethoxypyrimidin-2-yl)-3-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1-(4,6-dimethoxypyrimidin-2-yl)-3-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 101256300) is 1-(4,6-dimethoxypyrimidin-2-yl)-3-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-(4,6-dimethoxypyrimidin-2-yl)-3-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-(4,6-dimethoxypyrimidin-2-yl)-3-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione is COc1cc(OC)nc(-n2c(=O)n(C)c(=O)c3ccc(C(F)(F)F)nc32)n1.
What is the InChIKey of 1-(4,6-dimethoxypyrimidin-2-yl)-3-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is QBLNRIDAPQOSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N5O4/c1-22-12(24)7-4-5-8(15(16,17)18)19-11(7)23(14(22)25)13-20-9(26-2)6-10(21-13)27-3/h4-6H,1-3H3.
What are the key properties of 1-(4,6-dimethoxypyrimidin-2-yl)-3-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
1-(4,6-dimethoxypyrimidin-2-yl)-3-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 383.29 g/mol, XLogP of 0.91, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethoxypyrimidin-2-yl)-3-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 101256300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).