4-N,6-N-dimethyl-4-N-[(1-methylimidazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine

C12H15F3N6 — CID 106771884

IUPAC4-N,6-N-dimethyl-4-N-[(1-methylimidazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCNc1cc(N(C)Cc2nccn2C)nc(C(F)(F)F)n1
InChIInChI=1S/C12H15F3N6/c1-16-8-6-9(19-11(18-8)12(13,14)15)21(3)7-10-17-4-5-20(10)2/h4-6H,7H2,1-3H3,(H,16,18,19)
InChIKeyAFSGJYPZWYKRON-UHFFFAOYSA-N
MW300.29 g/mol
LogP1.91
Rot. Bonds4

About 4-N,6-N-dimethyl-4-N-[(1-methylimidazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine

4-N,6-N-dimethyl-4-N-[(1-methylimidazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine (PubChem CID 106771884) has the molecular formula C12H15F3N6 and a molecular weight of 300.29 g/mol. Its IUPAC name is 4-N,6-N-dimethyl-4-N-[(1-methylimidazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,6-N-dimethyl-4-N-[(1-methylimidazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
PubChem CID106771884
Molecular FormulaC12H15F3N6
Molecular Weight300.29 g/mol
Exact Mass300.13
IUPAC Name4-N,6-N-dimethyl-4-N-[(1-methylimidazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCNc1cc(N(C)Cc2nccn2C)nc(C(F)(F)F)n1
InChIInChI=1S/C12H15F3N6/c1-16-8-6-9(19-11(18-8)12(13,14)15)21(3)7-10-17-4-5-20(10)2/h4-6H,7H2,1-3H3,(H,16,18,19)
InChIKeyAFSGJYPZWYKRON-UHFFFAOYSA-N
XLogP1.91
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-N,6-N-dimethyl-4-N-[(1-methylimidazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine 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

4-N,6-N-dimethyl-4-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770835
4-N-(cyclobutylmethyl)-4-N,6-N-dimethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771813
2-tert-butyl-4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-4,6-diamine
CID 80958210
6-N-ethyl-4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-4,6-diamine
CID 80831186
N-methyl-6-[(1-propylimidazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106769668
6-N-ethyl-4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-2,4,6-triamine
CID 80831583
2-N-methyl-6-N-[(1-methylimidazol-2-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718475
6-N-ethyl-4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80944629
4-N,6-N-dimethyl-4-N-pentan-3-yl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770867
N-methyl-6-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pyridin-2-amine
CID 79231213
N-methyl-6-(2-propylimidazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773514
6-N-methyl-4-N,4-N-dipropyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770293

Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-dimethyl-4-N-[(1-methylimidazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N,6-N-dimethyl-4-N-[(1-methylimidazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine (CID 106771884) is 4-N,6-N-dimethyl-4-N-[(1-methylimidazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,6-N-dimethyl-4-N-[(1-methylimidazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N,6-N-dimethyl-4-N-[(1-methylimidazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine is CNc1cc(N(C)Cc2nccn2C)nc(C(F)(F)F)n1.
What is the InChIKey of 4-N,6-N-dimethyl-4-N-[(1-methylimidazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The InChIKey is AFSGJYPZWYKRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N6/c1-16-8-6-9(19-11(18-8)12(13,14)15)21(3)7-10-17-4-5-20(10)2/h4-6H,7H2,1-3H3,(H,16,18,19).
What are the key properties of 4-N,6-N-dimethyl-4-N-[(1-methylimidazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
4-N,6-N-dimethyl-4-N-[(1-methylimidazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine has a molecular weight of 300.29 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N-dimethyl-4-N-[(1-methylimidazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106771884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).