6-methyl-5-(trifluoromethyl)-2-N-(1,3,5-trimethylpyrazol-4-yl)pyrimidine-2,4-diamine

C12H15F3N6 — CID 69092006

IUPAC6-methyl-5-(trifluoromethyl)-2-N-(1,3,5-trimethylpyrazol-4-yl)pyrimidine-2,4-diamine
SMILESCc1nn(C)c(C)c1Nc1nc(C)c(C(F)(F)F)c(N)n1
InChIInChI=1S/C12H15F3N6/c1-5-8(12(13,14)15)10(16)19-11(17-5)18-9-6(2)20-21(4)7(9)3/h1-4H3,(H3,16,17,18,19)
InChIKeyMKCLTGKZJUSXDY-UHFFFAOYSA-N
MW300.29 g/mol
LogP2.48
Rot. Bonds2

About 6-methyl-5-(trifluoromethyl)-2-N-(1,3,5-trimethylpyrazol-4-yl)pyrimidine-2,4-diamine

6-methyl-5-(trifluoromethyl)-2-N-(1,3,5-trimethylpyrazol-4-yl)pyrimidine-2,4-diamine (PubChem CID 69092006) has the molecular formula C12H15F3N6 and a molecular weight of 300.29 g/mol. Its IUPAC name is 6-methyl-5-(trifluoromethyl)-2-N-(1,3,5-trimethylpyrazol-4-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-5-(trifluoromethyl)-2-N-(1,3,5-trimethylpyrazol-4-yl)pyrimidine-2,4-diamine
PubChem CID69092006
Molecular FormulaC12H15F3N6
Molecular Weight300.29 g/mol
Exact Mass300.13
IUPAC Name6-methyl-5-(trifluoromethyl)-2-N-(1,3,5-trimethylpyrazol-4-yl)pyrimidine-2,4-diamine
SMILESCc1nn(C)c(C)c1Nc1nc(C)c(C(F)(F)F)c(N)n1
InChIInChI=1S/C12H15F3N6/c1-5-8(12(13,14)15)10(16)19-11(17-5)18-9-6(2)20-21(4)7(9)3/h1-4H3,(H3,16,17,18,19)
InChIKeyMKCLTGKZJUSXDY-UHFFFAOYSA-N
XLogP2.48
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-methyl-5-(trifluoromethyl)-2-N-(1,3,5-trimethylpyrazol-4-yl)pyrimidine-2,4-diamine 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 6-methyl-5-(trifluoromethyl)-2-N-(1,3,5-trimethylpyrazol-4-yl)pyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-5-(trifluoromethyl)-2-N-(1,3,5-trimethylpyrazol-4-yl)pyrimidine-2,4-diamine (CID 69092006) is 6-methyl-5-(trifluoromethyl)-2-N-(1,3,5-trimethylpyrazol-4-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-5-(trifluoromethyl)-2-N-(1,3,5-trimethylpyrazol-4-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-5-(trifluoromethyl)-2-N-(1,3,5-trimethylpyrazol-4-yl)pyrimidine-2,4-diamine is Cc1nn(C)c(C)c1Nc1nc(C)c(C(F)(F)F)c(N)n1.
What is the InChIKey of 6-methyl-5-(trifluoromethyl)-2-N-(1,3,5-trimethylpyrazol-4-yl)pyrimidine-2,4-diamine?
The InChIKey is MKCLTGKZJUSXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N6/c1-5-8(12(13,14)15)10(16)19-11(17-5)18-9-6(2)20-21(4)7(9)3/h1-4H3,(H3,16,17,18,19).
What are the key properties of 6-methyl-5-(trifluoromethyl)-2-N-(1,3,5-trimethylpyrazol-4-yl)pyrimidine-2,4-diamine?
6-methyl-5-(trifluoromethyl)-2-N-(1,3,5-trimethylpyrazol-4-yl)pyrimidine-2,4-diamine has a molecular weight of 300.29 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-(trifluoromethyl)-2-N-(1,3,5-trimethylpyrazol-4-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 69092006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).