2-phenyl-5-[4-(trifluoromethyl)phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione

C20H14F3N3O2 — CID 135652527

IUPAC2-phenyl-5-[4-(trifluoromethyl)phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESO=C1CC(c2ccc(C(F)(F)F)cc2)c2c(nc(-c3ccccc3)[nH]c2=O)N1
InChIInChI=1S/C20H14F3N3O2/c21-20(22,23)13-8-6-11(7-9-13)14-10-15(27)24-18-16(14)19(28)26-17(25-18)12-4-2-1-3-5-12/h1-9,14H,10H2,(H2,24,25,26,27,28)
InChIKeyABYZDLSQCRFQMQ-UHFFFAOYSA-N
MW385.35 g/mol
LogP3.93
Rot. Bonds2

About 2-phenyl-5-[4-(trifluoromethyl)phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione

2-phenyl-5-[4-(trifluoromethyl)phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (PubChem CID 135652527) has the molecular formula C20H14F3N3O2 and a molecular weight of 385.35 g/mol. Its IUPAC name is 2-phenyl-5-[4-(trifluoromethyl)phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name2-phenyl-5-[4-(trifluoromethyl)phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
PubChem CID135652527
Molecular FormulaC20H14F3N3O2
Molecular Weight385.35 g/mol
Exact Mass385.10
IUPAC Name2-phenyl-5-[4-(trifluoromethyl)phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESO=C1CC(c2ccc(C(F)(F)F)cc2)c2c(nc(-c3ccccc3)[nH]c2=O)N1
InChIInChI=1S/C20H14F3N3O2/c21-20(22,23)13-8-6-11(7-9-13)14-10-15(27)24-18-16(14)19(28)26-17(25-18)12-4-2-1-3-5-12/h1-9,14H,10H2,(H2,24,25,26,27,28)
InChIKeyABYZDLSQCRFQMQ-UHFFFAOYSA-N
XLogP3.93
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.35
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[4-(trifluoromethyl)phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 2-phenyl-5-[4-(trifluoromethyl)phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (CID 135652527) is 2-phenyl-5-[4-(trifluoromethyl)phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 2-phenyl-5-[4-(trifluoromethyl)phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 2-phenyl-5-[4-(trifluoromethyl)phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is O=C1CC(c2ccc(C(F)(F)F)cc2)c2c(nc(-c3ccccc3)[nH]c2=O)N1.
What is the InChIKey of 2-phenyl-5-[4-(trifluoromethyl)phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The InChIKey is ABYZDLSQCRFQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3O2/c21-20(22,23)13-8-6-11(7-9-13)14-10-15(27)24-18-16(14)19(28)26-17(25-18)12-4-2-1-3-5-12/h1-9,14H,10H2,(H2,24,25,26,27,28).
What are the key properties of 2-phenyl-5-[4-(trifluoromethyl)phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
2-phenyl-5-[4-(trifluoromethyl)phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione has a molecular weight of 385.35 g/mol, XLogP of 3.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[4-(trifluoromethyl)phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 135652527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).