6-N-(2-methylpropyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine

C15H17F3N4 — CID 112855389

IUPAC6-N-(2-methylpropyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
SMILESCC(C)CNc1cc(Nc2ccc(C(F)(F)F)cc2)ncn1
InChIInChI=1S/C15H17F3N4/c1-10(2)8-19-13-7-14(21-9-20-13)22-12-5-3-11(4-6-12)15(16,17)18/h3-7,9-10H,8H2,1-2H3,(H2,19,20,21,22)
InChIKeyGLGQDDAEYHLKDF-UHFFFAOYSA-N
MW310.32 g/mol
LogP4.31
Rot. Bonds5

About 6-N-(2-methylpropyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine

6-N-(2-methylpropyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine (PubChem CID 112855389) has the molecular formula C15H17F3N4 and a molecular weight of 310.32 g/mol. Its IUPAC name is 6-N-(2-methylpropyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(2-methylpropyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
PubChem CID112855389
Molecular FormulaC15H17F3N4
Molecular Weight310.32 g/mol
Exact Mass310.14
IUPAC Name6-N-(2-methylpropyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
SMILESCC(C)CNc1cc(Nc2ccc(C(F)(F)F)cc2)ncn1
InChIInChI=1S/C15H17F3N4/c1-10(2)8-19-13-7-14(21-9-20-13)22-12-5-3-11(4-6-12)15(16,17)18/h3-7,9-10H,8H2,1-2H3,(H2,19,20,21,22)
InChIKeyGLGQDDAEYHLKDF-UHFFFAOYSA-N
XLogP4.31
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-N-(2-methylpropyl)-4-N-[4-(trifluoromethyl)phenyl]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-(4-methylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112855340
4-N-propan-2-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112854627
4-N-(4-chlorophenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112855365
4-N-(4-ethylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112855351
6-N-butyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112855199
6-(2-methylpropylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109340331
6-N-(3-methoxypropyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112856959
4-N-(3,4-difluorophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112866617
4-N-cyclopropyl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 67695034
4-N-(4-fluorophenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112864011
4-N-[3-(aminomethyl)phenyl]-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 174295030
6-N-butyl-4-N-(4-tert-butylphenyl)pyrimidine-4,6-diamine
CID 112855172

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-methylpropyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-(2-methylpropyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine (CID 112855389) is 6-N-(2-methylpropyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(2-methylpropyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(2-methylpropyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine is CC(C)CNc1cc(Nc2ccc(C(F)(F)F)cc2)ncn1.
What is the InChIKey of 6-N-(2-methylpropyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?
The InChIKey is GLGQDDAEYHLKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4/c1-10(2)8-19-13-7-14(21-9-20-13)22-12-5-3-11(4-6-12)15(16,17)18/h3-7,9-10H,8H2,1-2H3,(H2,19,20,21,22).
What are the key properties of 6-N-(2-methylpropyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?
6-N-(2-methylpropyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine has a molecular weight of 310.32 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-methylpropyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 112855389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).