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

C9H5ClF3N3O — CID 71743866

IUPAC3-amino-2-chloro-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESNc1c(Cl)nc2c(C(F)(F)F)cccn2c1=O
InChIInChI=1S/C9H5ClF3N3O/c10-6-5(14)8(17)16-3-1-2-4(7(16)15-6)9(11,12)13/h1-3H,14H2
InChIKeyRGJYCYDWMGXEIX-UHFFFAOYSA-N
MW263.61 g/mol
LogP1.95
Rot. Bonds

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

3-amino-2-chloro-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 71743866) has the molecular formula C9H5ClF3N3O and a molecular weight of 263.61 g/mol. Its IUPAC name is 3-amino-2-chloro-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-amino-2-chloro-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID71743866
Molecular FormulaC9H5ClF3N3O
Molecular Weight263.61 g/mol
Exact Mass263.01
IUPAC Name3-amino-2-chloro-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESNc1c(Cl)nc2c(C(F)(F)F)cccn2c1=O
InChIInChI=1S/C9H5ClF3N3O/c10-6-5(14)8(17)16-3-1-2-4(7(16)15-6)9(11,12)13/h1-3H,14H2
InChIKeyRGJYCYDWMGXEIX-UHFFFAOYSA-N
XLogP1.95
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.61
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-amino-2-chloro-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 66825481
CID 66825481
CID 66825612
CID 66825612
CID 71007360
CID 71007360
CID 83401967
CID 83401967
CID 87170426
CID 87170426
CID 118513921
CID 118513921
CID 156409511
CID 156409511
CID 156454937
CID 156454937
CID 170269142
CID 170269142
CID 170269149
CID 170269149
CID 86842720
CID 86842720
CID 115015293
CID 115015293

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-chloro-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-amino-2-chloro-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (CID 71743866) is 3-amino-2-chloro-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-amino-2-chloro-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-amino-2-chloro-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is Nc1c(Cl)nc2c(C(F)(F)F)cccn2c1=O.
What is the InChIKey of 3-amino-2-chloro-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is RGJYCYDWMGXEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF3N3O/c10-6-5(14)8(17)16-3-1-2-4(7(16)15-6)9(11,12)13/h1-3H,14H2.
What are the key properties of 3-amino-2-chloro-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
3-amino-2-chloro-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 263.61 g/mol, XLogP of 1.95, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-chloro-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 71743866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).