1-amino-4-phenyl-6-(trifluoromethyl)pyrido[1,2-c]pyrimidin-3-one

C15H10F3N3O — CID 162388441

IUPAC1-amino-4-phenyl-6-(trifluoromethyl)pyrido[1,2-c]pyrimidin-3-one
SMILESNc1nc(=O)c(-c2ccccc2)c2cc(C(F)(F)F)ccn12
InChIInChI=1S/C15H10F3N3O/c16-15(17,18)10-6-7-21-11(8-10)12(13(22)20-14(21)19)9-4-2-1-3-5-9/h1-8H,(H2,19,20,22)
InChIKeyQKFUFPOYLLPXGL-UHFFFAOYSA-N
MW305.26 g/mol
LogP2.96
Rot. Bonds1

About 1-amino-4-phenyl-6-(trifluoromethyl)pyrido[1,2-c]pyrimidin-3-one

1-amino-4-phenyl-6-(trifluoromethyl)pyrido[1,2-c]pyrimidin-3-one (PubChem CID 162388441) has the molecular formula C15H10F3N3O and a molecular weight of 305.26 g/mol. Its IUPAC name is 1-amino-4-phenyl-6-(trifluoromethyl)pyrido[1,2-c]pyrimidin-3-one.

Molecular Properties

Compound Name1-amino-4-phenyl-6-(trifluoromethyl)pyrido[1,2-c]pyrimidin-3-one
PubChem CID162388441
Molecular FormulaC15H10F3N3O
Molecular Weight305.26 g/mol
Exact Mass305.08
IUPAC Name1-amino-4-phenyl-6-(trifluoromethyl)pyrido[1,2-c]pyrimidin-3-one
SMILESNc1nc(=O)c(-c2ccccc2)c2cc(C(F)(F)F)ccn12
InChIInChI=1S/C15H10F3N3O/c16-15(17,18)10-6-7-21-11(8-10)12(13(22)20-14(21)19)9-4-2-1-3-5-9/h1-8H,(H2,19,20,22)
InChIKeyQKFUFPOYLLPXGL-UHFFFAOYSA-N
XLogP2.96
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-4-phenyl-6-(trifluoromethyl)pyrido[1,2-c]pyrimidin-3-one?
The IUPAC name of 1-amino-4-phenyl-6-(trifluoromethyl)pyrido[1,2-c]pyrimidin-3-one (CID 162388441) is 1-amino-4-phenyl-6-(trifluoromethyl)pyrido[1,2-c]pyrimidin-3-one.
What is the SMILES notation for 1-amino-4-phenyl-6-(trifluoromethyl)pyrido[1,2-c]pyrimidin-3-one?
The canonical SMILES for 1-amino-4-phenyl-6-(trifluoromethyl)pyrido[1,2-c]pyrimidin-3-one is Nc1nc(=O)c(-c2ccccc2)c2cc(C(F)(F)F)ccn12.
What is the InChIKey of 1-amino-4-phenyl-6-(trifluoromethyl)pyrido[1,2-c]pyrimidin-3-one?
The InChIKey is QKFUFPOYLLPXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O/c16-15(17,18)10-6-7-21-11(8-10)12(13(22)20-14(21)19)9-4-2-1-3-5-9/h1-8H,(H2,19,20,22).
What are the key properties of 1-amino-4-phenyl-6-(trifluoromethyl)pyrido[1,2-c]pyrimidin-3-one?
1-amino-4-phenyl-6-(trifluoromethyl)pyrido[1,2-c]pyrimidin-3-one has a molecular weight of 305.26 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-phenyl-6-(trifluoromethyl)pyrido[1,2-c]pyrimidin-3-one is sourced from PubChem (CID 162388441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).