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

C14H10F3N5O4 — CID 91140958

IUPAC1-(4,6-dimethoxypyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOc1cc(OC)nc(-n2c(=O)[nH]c(=O)c3ccc(C(F)(F)F)nc32)n1
InChIInChI=1S/C14H10F3N5O4/c1-25-8-5-9(26-2)20-12(19-8)22-10-6(11(23)21-13(22)24)3-4-7(18-10)14(15,16)17/h3-5H,1-2H3,(H,21,23,24)
InChIKeyUFVJSLWJFSIEHQ-UHFFFAOYSA-N
MW369.26 g/mol
LogP0.90
Rot. Bonds3

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

1-(4,6-dimethoxypyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 91140958) has the molecular formula C14H10F3N5O4 and a molecular weight of 369.26 g/mol. Its IUPAC name is 1-(4,6-dimethoxypyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(4,6-dimethoxypyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID91140958
Molecular FormulaC14H10F3N5O4
Molecular Weight369.26 g/mol
Exact Mass369.07
IUPAC Name1-(4,6-dimethoxypyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOc1cc(OC)nc(-n2c(=O)[nH]c(=O)c3ccc(C(F)(F)F)nc32)n1
InChIInChI=1S/C14H10F3N5O4/c1-25-8-5-9(26-2)20-12(19-8)22-10-6(11(23)21-13(22)24)3-4-7(18-10)14(15,16)17/h3-5H,1-2H3,(H,21,23,24)
InChIKeyUFVJSLWJFSIEHQ-UHFFFAOYSA-N
XLogP0.90
TPSA111.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.26
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-(4,6-dimethoxypyrimidin-2-yl)-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
4-(4,6-Dimethoxypyrimidin-2-yl)-7-(trifluoromethyl)-4H-2,6-naphthyridine-1,3-dione
CID 139594541
flupyrsulfuron-methyl TP2
CID 100975564
2-[(4,6-Dimethoxypyrimidin-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 90730436
N-(6-methoxypyrimidin-4-yl)-6-methylpyridine-3-carboxamide
CID 75514019
N-(4-methoxy-6-methylpyrimidin-2-yl)-2,6-dimethylpyridine-3-carboxamide
CID 137978238
5-Methoxy-1-phenyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 153609065
6-[[1-(4-Methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-2-(trifluoromethyl)-1,6-naphthyridin-5-one
CID 24735398
6-Trifluoromethyl-2-(4,6-dimethoxypyrimidine-2-yl)amino-3-pyridinecarboxylic acid methyl ester
CID 100975559
[(4,6-Dimethoxypyrimidin-2-yl)-[3-methoxycarbonyl-6-(trifluoromethyl)-2-pyridinyl]carbamoyl]sulfamic acid
CID 100975563
1-(4,6-Dimethoxypyrimidin-2-yl)-3-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 101256300
(4-(6-Methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl)(6-(trifluoromethyl)pyridin-3-yl)methanone
CID 122332338

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethoxypyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1-(4,6-dimethoxypyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 91140958) is 1-(4,6-dimethoxypyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-(4,6-dimethoxypyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-(4,6-dimethoxypyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione is COc1cc(OC)nc(-n2c(=O)[nH]c(=O)c3ccc(C(F)(F)F)nc32)n1.
What is the InChIKey of 1-(4,6-dimethoxypyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is UFVJSLWJFSIEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N5O4/c1-25-8-5-9(26-2)20-12(19-8)22-10-6(11(23)21-13(22)24)3-4-7(18-10)14(15,16)17/h3-5H,1-2H3,(H,21,23,24).
What are the key properties of 1-(4,6-dimethoxypyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
1-(4,6-dimethoxypyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 369.26 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethoxypyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 91140958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).