3-methyl-6-[3-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-one

C15H10F3N3O — CID 134808333

IUPAC3-methyl-6-[3-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-one
SMILESCn1cnc2ccc(-c3cccc(C(F)(F)F)c3)nc2c1=O
InChIInChI=1S/C15H10F3N3O/c1-21-8-19-12-6-5-11(20-13(12)14(21)22)9-3-2-4-10(7-9)15(16,17)18/h2-8H,1H3
InChIKeyZACGOSFWAKQSKC-UHFFFAOYSA-N
MW305.26 g/mol
LogP3.01
Rot. Bonds1

About 3-methyl-6-[3-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-one

3-methyl-6-[3-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-one (PubChem CID 134808333) has the molecular formula C15H10F3N3O and a molecular weight of 305.26 g/mol. Its IUPAC name is 3-methyl-6-[3-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-6-[3-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-one
PubChem CID134808333
Molecular FormulaC15H10F3N3O
Molecular Weight305.26 g/mol
Exact Mass305.08
IUPAC Name3-methyl-6-[3-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-one
SMILESCn1cnc2ccc(-c3cccc(C(F)(F)F)c3)nc2c1=O
InChIInChI=1S/C15H10F3N3O/c1-21-8-19-12-6-5-11(20-13(12)14(21)22)9-3-2-4-10(7-9)15(16,17)18/h2-8H,1H3
InChIKeyZACGOSFWAKQSKC-UHFFFAOYSA-N
XLogP3.01
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[3-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-methyl-6-[3-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-one (CID 134808333) is 3-methyl-6-[3-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-6-[3-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-methyl-6-[3-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-one is Cn1cnc2ccc(-c3cccc(C(F)(F)F)c3)nc2c1=O.
What is the InChIKey of 3-methyl-6-[3-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-one?
The InChIKey is ZACGOSFWAKQSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O/c1-21-8-19-12-6-5-11(20-13(12)14(21)22)9-3-2-4-10(7-9)15(16,17)18/h2-8H,1H3.
What are the key properties of 3-methyl-6-[3-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-one?
3-methyl-6-[3-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-one has a molecular weight of 305.26 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[3-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 134808333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).