11-[(4,6-dimethylpyrimidin-2-yl)amino]-4-(trifluoromethyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one

C15H11F3N8O — CID 16653998

IUPAC11-[(4,6-dimethylpyrimidin-2-yl)amino]-4-(trifluoromethyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
SMILESCc1cc(C)nc(Nn2ccc3c(cnc4nc(C(F)(F)F)nn43)c2=O)n1
InChIInChI=1S/C15H11F3N8O/c1-7-5-8(2)21-13(20-7)24-25-4-3-10-9(11(25)27)6-19-14-22-12(15(16,17)18)23-26(10)14/h3-6H,1-2H3,(H,20,21,24)
InChIKeyHUVVZSLWLVKJNQ-UHFFFAOYSA-N
MW376.30 g/mol
LogP1.74
Rot. Bonds2

About 11-[(4,6-dimethylpyrimidin-2-yl)amino]-4-(trifluoromethyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one

11-[(4,6-dimethylpyrimidin-2-yl)amino]-4-(trifluoromethyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one (PubChem CID 16653998) has the molecular formula C15H11F3N8O and a molecular weight of 376.30 g/mol. Its IUPAC name is 11-[(4,6-dimethylpyrimidin-2-yl)amino]-4-(trifluoromethyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one.

Molecular Properties

Compound Name11-[(4,6-dimethylpyrimidin-2-yl)amino]-4-(trifluoromethyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
PubChem CID16653998
Molecular FormulaC15H11F3N8O
Molecular Weight376.30 g/mol
Exact Mass376.10
IUPAC Name11-[(4,6-dimethylpyrimidin-2-yl)amino]-4-(trifluoromethyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
SMILESCc1cc(C)nc(Nn2ccc3c(cnc4nc(C(F)(F)F)nn43)c2=O)n1
InChIInChI=1S/C15H11F3N8O/c1-7-5-8(2)21-13(20-7)24-25-4-3-10-9(11(25)27)6-19-14-22-12(15(16,17)18)23-26(10)14/h3-6H,1-2H3,(H,20,21,24)
InChIKeyHUVVZSLWLVKJNQ-UHFFFAOYSA-N
XLogP1.74
TPSA102.89 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.30
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 11-[(4,6-dimethylpyrimidin-2-yl)amino]-4-(trifluoromethyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-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 11-[(4,6-dimethylpyrimidin-2-yl)amino]-4-(trifluoromethyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
The IUPAC name of 11-[(4,6-dimethylpyrimidin-2-yl)amino]-4-(trifluoromethyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one (CID 16653998) is 11-[(4,6-dimethylpyrimidin-2-yl)amino]-4-(trifluoromethyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one.
What is the SMILES notation for 11-[(4,6-dimethylpyrimidin-2-yl)amino]-4-(trifluoromethyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
The canonical SMILES for 11-[(4,6-dimethylpyrimidin-2-yl)amino]-4-(trifluoromethyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one is Cc1cc(C)nc(Nn2ccc3c(cnc4nc(C(F)(F)F)nn43)c2=O)n1.
What is the InChIKey of 11-[(4,6-dimethylpyrimidin-2-yl)amino]-4-(trifluoromethyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
The InChIKey is HUVVZSLWLVKJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N8O/c1-7-5-8(2)21-13(20-7)24-25-4-3-10-9(11(25)27)6-19-14-22-12(15(16,17)18)23-26(10)14/h3-6H,1-2H3,(H,20,21,24).
What are the key properties of 11-[(4,6-dimethylpyrimidin-2-yl)amino]-4-(trifluoromethyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
11-[(4,6-dimethylpyrimidin-2-yl)amino]-4-(trifluoromethyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one has a molecular weight of 376.30 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[(4,6-dimethylpyrimidin-2-yl)amino]-4-(trifluoromethyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one is sourced from PubChem (CID 16653998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).