7-(furan-2-yl)-1-methyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione

C13H8F3N3O3 — CID 2112414

IUPAC7-(furan-2-yl)-1-methyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]c(=O)c2c(C(F)(F)F)cc(-c3ccco3)nc21
InChIInChI=1S/C13H8F3N3O3/c1-19-10-9(11(20)18-12(19)21)6(13(14,15)16)5-7(17-10)8-3-2-4-22-8/h2-5H,1H3,(H,18,20,21)
InChIKeyCGYMHBGPWDPCKR-UHFFFAOYSA-N
MW311.22 g/mol
LogP1.90
Rot. Bonds1

About 7-(furan-2-yl)-1-methyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione

7-(furan-2-yl)-1-methyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 2112414) has the molecular formula C13H8F3N3O3 and a molecular weight of 311.22 g/mol. Its IUPAC name is 7-(furan-2-yl)-1-methyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-(furan-2-yl)-1-methyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID2112414
Molecular FormulaC13H8F3N3O3
Molecular Weight311.22 g/mol
Exact Mass311.05
IUPAC Name7-(furan-2-yl)-1-methyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]c(=O)c2c(C(F)(F)F)cc(-c3ccco3)nc21
InChIInChI=1S/C13H8F3N3O3/c1-19-10-9(11(20)18-12(19)21)6(13(14,15)16)5-7(17-10)8-3-2-4-22-8/h2-5H,1H3,(H,18,20,21)
InChIKeyCGYMHBGPWDPCKR-UHFFFAOYSA-N
XLogP1.90
TPSA80.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(furan-2-yl)-1-methyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 7-(furan-2-yl)-1-methyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 2112414) is 7-(furan-2-yl)-1-methyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-(furan-2-yl)-1-methyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-(furan-2-yl)-1-methyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione is Cn1c(=O)[nH]c(=O)c2c(C(F)(F)F)cc(-c3ccco3)nc21.
What is the InChIKey of 7-(furan-2-yl)-1-methyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is CGYMHBGPWDPCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N3O3/c1-19-10-9(11(20)18-12(19)21)6(13(14,15)16)5-7(17-10)8-3-2-4-22-8/h2-5H,1H3,(H,18,20,21).
What are the key properties of 7-(furan-2-yl)-1-methyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
7-(furan-2-yl)-1-methyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 311.22 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(furan-2-yl)-1-methyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 2112414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).