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

C14H8F3N3O2 — CID 134914520

IUPAC5-phenyl-7-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)c2c(-c3ccccc3)cc(C(F)(F)F)nc2[nH]1
InChIInChI=1S/C14H8F3N3O2/c15-14(16,17)9-6-8(7-4-2-1-3-5-7)10-11(18-9)19-13(22)20-12(10)21/h1-6H,(H2,18,19,20,21,22)
InChIKeyILWVZDNNTITDOT-UHFFFAOYSA-N
MW307.23 g/mol
LogP2.30
Rot. Bonds1

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

5-phenyl-7-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 134914520) has the molecular formula C14H8F3N3O2 and a molecular weight of 307.23 g/mol. Its IUPAC name is 5-phenyl-7-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-phenyl-7-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID134914520
Molecular FormulaC14H8F3N3O2
Molecular Weight307.23 g/mol
Exact Mass307.06
IUPAC Name5-phenyl-7-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)c2c(-c3ccccc3)cc(C(F)(F)F)nc2[nH]1
InChIInChI=1S/C14H8F3N3O2/c15-14(16,17)9-6-8(7-4-2-1-3-5-7)10-11(18-9)19-13(22)20-12(10)21/h1-6H,(H2,18,19,20,21,22)
InChIKeyILWVZDNNTITDOT-UHFFFAOYSA-N
XLogP2.30
TPSA78.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.23
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 10341154
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1,3-Dimethyl-1,2,3,4-tetrahydropyrimido[4,5-b]quinoline-2,4-dione
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CID 686880
Tcmdc-123937
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CID 1904911
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CID 4362481
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CID 5468784

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-7-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5-phenyl-7-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione (CID 134914520) is 5-phenyl-7-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-phenyl-7-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-phenyl-7-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione is O=c1[nH]c(=O)c2c(-c3ccccc3)cc(C(F)(F)F)nc2[nH]1.
What is the InChIKey of 5-phenyl-7-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is ILWVZDNNTITDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N3O2/c15-14(16,17)9-6-8(7-4-2-1-3-5-7)10-11(18-9)19-13(22)20-12(10)21/h1-6H,(H2,18,19,20,21,22).
What are the key properties of 5-phenyl-7-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
5-phenyl-7-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 307.23 g/mol, XLogP of 2.30, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-7-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 134914520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).