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

C11H13F3N6 — CID 102807806

IUPAC4-N-(1,3-dimethylpyrazol-4-yl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2cn(C)nc2C)cc(C(F)(F)F)n1
InChIInChI=1S/C11H13F3N6/c1-6-7(5-20(3)19-6)16-9-4-8(11(12,13)14)17-10(15-2)18-9/h4-5H,1-3H3,(H2,15,16,17,18)
InChIKeyRQNCZEGPNQYPKH-UHFFFAOYSA-N
MW286.26 g/mol
LogP2.32
Rot. Bonds3

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

4-N-(1,3-dimethylpyrazol-4-yl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 102807806) has the molecular formula C11H13F3N6 and a molecular weight of 286.26 g/mol. Its IUPAC name is 4-N-(1,3-dimethylpyrazol-4-yl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(1,3-dimethylpyrazol-4-yl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID102807806
Molecular FormulaC11H13F3N6
Molecular Weight286.26 g/mol
Exact Mass286.12
IUPAC Name4-N-(1,3-dimethylpyrazol-4-yl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2cn(C)nc2C)cc(C(F)(F)F)n1
InChIInChI=1S/C11H13F3N6/c1-6-7(5-20(3)19-6)16-9-4-8(11(12,13)14)17-10(15-2)18-9/h4-5H,1-3H3,(H2,15,16,17,18)
InChIKeyRQNCZEGPNQYPKH-UHFFFAOYSA-N
XLogP2.32
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(2,4-difluorophenyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563686
4-N-(2-bromophenyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563666
4-N-(2,3-difluorophenyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564272
4-N-(2-chloro-5-fluorophenyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 107531763
2-N-methyl-4-N-pentan-3-yl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563840
4-N-(1,3-dimethylpyrazol-4-yl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330803
4-N-(1,3-dimethylpyrazol-4-yl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 102807839
4-N-(3-bromo-4-methylphenyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565052
4-N-cyclopropyl-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563830
4-N-(3-bromo-4-fluorophenyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565780
4-N-(3,3-dimethylbutyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565969
N-(1,3-dimethylpyrazol-4-yl)-4-methylpyridin-2-amine
CID 102806091

Frequently Asked Questions

What is the IUPAC name of 4-N-(1,3-dimethylpyrazol-4-yl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(1,3-dimethylpyrazol-4-yl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 102807806) is 4-N-(1,3-dimethylpyrazol-4-yl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(1,3-dimethylpyrazol-4-yl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(1,3-dimethylpyrazol-4-yl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine is CNc1nc(Nc2cn(C)nc2C)cc(C(F)(F)F)n1.
What is the InChIKey of 4-N-(1,3-dimethylpyrazol-4-yl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is RQNCZEGPNQYPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N6/c1-6-7(5-20(3)19-6)16-9-4-8(11(12,13)14)17-10(15-2)18-9/h4-5H,1-3H3,(H2,15,16,17,18).
What are the key properties of 4-N-(1,3-dimethylpyrazol-4-yl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-(1,3-dimethylpyrazol-4-yl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 286.26 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1,3-dimethylpyrazol-4-yl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 102807806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).