2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one

C11H10F3N5O — CID 136901620

IUPAC2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCc1cc(C)nc(Nc2nc(C(F)(F)F)cc(=O)[nH]2)n1
InChIInChI=1S/C11H10F3N5O/c1-5-3-6(2)16-9(15-5)19-10-17-7(11(12,13)14)4-8(20)18-10/h3-4H,1-2H3,(H2,15,16,17,18,19,20)
InChIKeyOXJGYOPEGWVDEF-UHFFFAOYSA-N
MW285.23 g/mol
LogP1.94
Rot. Bonds2

About 2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one

2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 136901620) has the molecular formula C11H10F3N5O and a molecular weight of 285.23 g/mol. Its IUPAC name is 2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID136901620
Molecular FormulaC11H10F3N5O
Molecular Weight285.23 g/mol
Exact Mass285.08
IUPAC Name2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCc1cc(C)nc(Nc2nc(C(F)(F)F)cc(=O)[nH]2)n1
InChIInChI=1S/C11H10F3N5O/c1-5-3-6(2)16-9(15-5)19-10-17-7(11(12,13)14)4-8(20)18-10/h3-4H,1-2H3,(H2,15,16,17,18,19,20)
InChIKeyOXJGYOPEGWVDEF-UHFFFAOYSA-N
XLogP1.94
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-(trifluoromethyl)-1H-pyrimidin-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 2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one (CID 136901620) is 2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one is Cc1cc(C)nc(Nc2nc(C(F)(F)F)cc(=O)[nH]2)n1.
What is the InChIKey of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is OXJGYOPEGWVDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N5O/c1-5-3-6(2)16-9(15-5)19-10-17-7(11(12,13)14)4-8(20)18-10/h3-4H,1-2H3,(H2,15,16,17,18,19,20).
What are the key properties of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 285.23 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136901620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).