1-methyl-3-(1,3-thiazol-4-ylmethyl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione

C13H9F3N4O2S — CID 71933639

IUPAC1-methyl-3-(1,3-thiazol-4-ylmethyl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)n(Cc2cscn2)c(=O)c2ccc(C(F)(F)F)nc21
InChIInChI=1S/C13H9F3N4O2S/c1-19-10-8(2-3-9(18-10)13(14,15)16)11(21)20(12(19)22)4-7-5-23-6-17-7/h2-3,5-6H,4H2,1H3
InChIKeyNZCNQDIMZPXJRQ-UHFFFAOYSA-N
MW342.30 g/mol
LogP1.62
Rot. Bonds2

About 1-methyl-3-(1,3-thiazol-4-ylmethyl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione

1-methyl-3-(1,3-thiazol-4-ylmethyl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 71933639) has the molecular formula C13H9F3N4O2S and a molecular weight of 342.30 g/mol. Its IUPAC name is 1-methyl-3-(1,3-thiazol-4-ylmethyl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-methyl-3-(1,3-thiazol-4-ylmethyl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID71933639
Molecular FormulaC13H9F3N4O2S
Molecular Weight342.30 g/mol
Exact Mass342.04
IUPAC Name1-methyl-3-(1,3-thiazol-4-ylmethyl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)n(Cc2cscn2)c(=O)c2ccc(C(F)(F)F)nc21
InChIInChI=1S/C13H9F3N4O2S/c1-19-10-8(2-3-9(18-10)13(14,15)16)11(21)20(12(19)22)4-7-5-23-6-17-7/h2-3,5-6H,4H2,1H3
InChIKeyNZCNQDIMZPXJRQ-UHFFFAOYSA-N
XLogP1.62
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.30
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1,3-thiazol-4-ylmethyl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1-methyl-3-(1,3-thiazol-4-ylmethyl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 71933639) is 1-methyl-3-(1,3-thiazol-4-ylmethyl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-methyl-3-(1,3-thiazol-4-ylmethyl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-methyl-3-(1,3-thiazol-4-ylmethyl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione is Cn1c(=O)n(Cc2cscn2)c(=O)c2ccc(C(F)(F)F)nc21.
What is the InChIKey of 1-methyl-3-(1,3-thiazol-4-ylmethyl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is NZCNQDIMZPXJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N4O2S/c1-19-10-8(2-3-9(18-10)13(14,15)16)11(21)20(12(19)22)4-7-5-23-6-17-7/h2-3,5-6H,4H2,1H3.
What are the key properties of 1-methyl-3-(1,3-thiazol-4-ylmethyl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
1-methyl-3-(1,3-thiazol-4-ylmethyl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 342.30 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1,3-thiazol-4-ylmethyl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 71933639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).