3-amino-2-cyclopropyl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one

C12H10F3N3O — CID 66825496

IUPAC3-amino-2-cyclopropyl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESNc1c(C2CC2)nc2c(C(F)(F)F)cccn2c1=O
InChIInChI=1S/C12H10F3N3O/c13-12(14,15)7-2-1-5-18-10(7)17-9(6-3-4-6)8(16)11(18)19/h1-2,5-6H,3-4,16H2
InChIKeyWSLPFNBFHKVHPE-UHFFFAOYSA-N
MW269.23 g/mol
LogP2.17
Rot. Bonds1

About 3-amino-2-cyclopropyl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one

3-amino-2-cyclopropyl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 66825496) has the molecular formula C12H10F3N3O and a molecular weight of 269.23 g/mol. Its IUPAC name is 3-amino-2-cyclopropyl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-amino-2-cyclopropyl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID66825496
Molecular FormulaC12H10F3N3O
Molecular Weight269.23 g/mol
Exact Mass269.08
IUPAC Name3-amino-2-cyclopropyl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESNc1c(C2CC2)nc2c(C(F)(F)F)cccn2c1=O
InChIInChI=1S/C12H10F3N3O/c13-12(14,15)7-2-1-5-18-10(7)17-9(6-3-4-6)8(16)11(18)19/h1-2,5-6H,3-4,16H2
InChIKeyWSLPFNBFHKVHPE-UHFFFAOYSA-N
XLogP2.17
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-cyclopropyl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-amino-2-cyclopropyl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (CID 66825496) is 3-amino-2-cyclopropyl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-amino-2-cyclopropyl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-amino-2-cyclopropyl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is Nc1c(C2CC2)nc2c(C(F)(F)F)cccn2c1=O.
What is the InChIKey of 3-amino-2-cyclopropyl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is WSLPFNBFHKVHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O/c13-12(14,15)7-2-1-5-18-10(7)17-9(6-3-4-6)8(16)11(18)19/h1-2,5-6H,3-4,16H2.
What are the key properties of 3-amino-2-cyclopropyl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
3-amino-2-cyclopropyl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 269.23 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-cyclopropyl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 66825496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).