1-ethyl-7-(4-methylphenyl)-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione

C17H14F3N3O2 — CID 4798133

IUPAC1-ethyl-7-(4-methylphenyl)-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCn1c(=O)[nH]c(=O)c2c(C(F)(F)F)cc(-c3ccc(C)cc3)nc21
InChIInChI=1S/C17H14F3N3O2/c1-3-23-14-13(15(24)22-16(23)25)11(17(18,19)20)8-12(21-14)10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3,(H,22,24,25)
InChIKeyPLUFDYPICVLQOY-UHFFFAOYSA-N
MW349.31 g/mol
LogP3.10
Rot. Bonds2

About 1-ethyl-7-(4-methylphenyl)-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione

1-ethyl-7-(4-methylphenyl)-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 4798133) has the molecular formula C17H14F3N3O2 and a molecular weight of 349.31 g/mol. Its IUPAC name is 1-ethyl-7-(4-methylphenyl)-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-ethyl-7-(4-methylphenyl)-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID4798133
Molecular FormulaC17H14F3N3O2
Molecular Weight349.31 g/mol
Exact Mass349.10
IUPAC Name1-ethyl-7-(4-methylphenyl)-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCn1c(=O)[nH]c(=O)c2c(C(F)(F)F)cc(-c3ccc(C)cc3)nc21
InChIInChI=1S/C17H14F3N3O2/c1-3-23-14-13(15(24)22-16(23)25)11(17(18,19)20)8-12(21-14)10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3,(H,22,24,25)
InChIKeyPLUFDYPICVLQOY-UHFFFAOYSA-N
XLogP3.10
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-(4-methylphenyl)-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1-ethyl-7-(4-methylphenyl)-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 4798133) is 1-ethyl-7-(4-methylphenyl)-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-ethyl-7-(4-methylphenyl)-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-ethyl-7-(4-methylphenyl)-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione is CCn1c(=O)[nH]c(=O)c2c(C(F)(F)F)cc(-c3ccc(C)cc3)nc21.
What is the InChIKey of 1-ethyl-7-(4-methylphenyl)-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is PLUFDYPICVLQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O2/c1-3-23-14-13(15(24)22-16(23)25)11(17(18,19)20)8-12(21-14)10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3,(H,22,24,25).
What are the key properties of 1-ethyl-7-(4-methylphenyl)-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
1-ethyl-7-(4-methylphenyl)-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 349.31 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7-(4-methylphenyl)-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 4798133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).