10-(trifluoromethoxy)-1,2,3,4-tetrahydropyrimido[1,2-c]quinazolin-6-one

C12H10F3N3O2 — CID 135999407

IUPAC10-(trifluoromethoxy)-1,2,3,4-tetrahydropyrimido[1,2-c]quinazolin-6-one
SMILESO=c1nc2ccc(OC(F)(F)F)cc2c2n1CCCN2
InChIInChI=1S/C12H10F3N3O2/c13-12(14,15)20-7-2-3-9-8(6-7)10-16-4-1-5-18(10)11(19)17-9/h2-3,6,16H,1,4-5H2
InChIKeyATBGPXXWLHWINI-UHFFFAOYSA-N
MW285.22 g/mol
LogP2.11
Rot. Bonds1

About 10-(trifluoromethoxy)-1,2,3,4-tetrahydropyrimido[1,2-c]quinazolin-6-one

10-(trifluoromethoxy)-1,2,3,4-tetrahydropyrimido[1,2-c]quinazolin-6-one (PubChem CID 135999407) has the molecular formula C12H10F3N3O2 and a molecular weight of 285.22 g/mol. Its IUPAC name is 10-(trifluoromethoxy)-1,2,3,4-tetrahydropyrimido[1,2-c]quinazolin-6-one.

Molecular Properties

Compound Name10-(trifluoromethoxy)-1,2,3,4-tetrahydropyrimido[1,2-c]quinazolin-6-one
PubChem CID135999407
Molecular FormulaC12H10F3N3O2
Molecular Weight285.22 g/mol
Exact Mass285.07
IUPAC Name10-(trifluoromethoxy)-1,2,3,4-tetrahydropyrimido[1,2-c]quinazolin-6-one
SMILESO=c1nc2ccc(OC(F)(F)F)cc2c2n1CCCN2
InChIInChI=1S/C12H10F3N3O2/c13-12(14,15)20-7-2-3-9-8(6-7)10-16-4-1-5-18(10)11(19)17-9/h2-3,6,16H,1,4-5H2
InChIKeyATBGPXXWLHWINI-UHFFFAOYSA-N
XLogP2.11
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 10-(trifluoromethoxy)-1,2,3,4-tetrahydropyrimido[1,2-c]quinazolin-6-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-(trifluoromethoxy)-1,2,3,4-tetrahydropyrimido[1,2-c]quinazolin-6-one?
The IUPAC name of 10-(trifluoromethoxy)-1,2,3,4-tetrahydropyrimido[1,2-c]quinazolin-6-one (CID 135999407) is 10-(trifluoromethoxy)-1,2,3,4-tetrahydropyrimido[1,2-c]quinazolin-6-one.
What is the SMILES notation for 10-(trifluoromethoxy)-1,2,3,4-tetrahydropyrimido[1,2-c]quinazolin-6-one?
The canonical SMILES for 10-(trifluoromethoxy)-1,2,3,4-tetrahydropyrimido[1,2-c]quinazolin-6-one is O=c1nc2ccc(OC(F)(F)F)cc2c2n1CCCN2.
What is the InChIKey of 10-(trifluoromethoxy)-1,2,3,4-tetrahydropyrimido[1,2-c]quinazolin-6-one?
The InChIKey is ATBGPXXWLHWINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O2/c13-12(14,15)20-7-2-3-9-8(6-7)10-16-4-1-5-18(10)11(19)17-9/h2-3,6,16H,1,4-5H2.
What are the key properties of 10-(trifluoromethoxy)-1,2,3,4-tetrahydropyrimido[1,2-c]quinazolin-6-one?
10-(trifluoromethoxy)-1,2,3,4-tetrahydropyrimido[1,2-c]quinazolin-6-one has a molecular weight of 285.22 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(trifluoromethoxy)-1,2,3,4-tetrahydropyrimido[1,2-c]quinazolin-6-one is sourced from PubChem (CID 135999407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).