2-N-(5-cyclopropyl-1-methylpyrazol-3-yl)-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine

C14H17F3N6 — CID 167951590

IUPAC2-N-(5-cyclopropyl-1-methylpyrazol-3-yl)-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCN(C)c1cc(C(F)(F)F)nc(Nc2cc(C3CC3)n(C)n2)n1
InChIInChI=1S/C14H17F3N6/c1-22(2)12-7-10(14(15,16)17)18-13(20-12)19-11-6-9(8-4-5-8)23(3)21-11/h6-8H,4-5H2,1-3H3,(H,18,19,20,21)
InChIKeyXZFMDWAAGOVTJA-UHFFFAOYSA-N
MW326.33 g/mol
LogP2.92
Rot. Bonds4

About 2-N-(5-cyclopropyl-1-methylpyrazol-3-yl)-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine

2-N-(5-cyclopropyl-1-methylpyrazol-3-yl)-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 167951590) has the molecular formula C14H17F3N6 and a molecular weight of 326.33 g/mol. Its IUPAC name is 2-N-(5-cyclopropyl-1-methylpyrazol-3-yl)-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(5-cyclopropyl-1-methylpyrazol-3-yl)-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID167951590
Molecular FormulaC14H17F3N6
Molecular Weight326.33 g/mol
Exact Mass326.15
IUPAC Name2-N-(5-cyclopropyl-1-methylpyrazol-3-yl)-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCN(C)c1cc(C(F)(F)F)nc(Nc2cc(C3CC3)n(C)n2)n1
InChIInChI=1S/C14H17F3N6/c1-22(2)12-7-10(14(15,16)17)18-13(20-12)19-11-6-9(8-4-5-8)23(3)21-11/h6-8H,4-5H2,1-3H3,(H,18,19,20,21)
InChIKeyXZFMDWAAGOVTJA-UHFFFAOYSA-N
XLogP2.92
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(5-cyclopropyl-1-methylpyrazol-3-yl)-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(5-cyclopropyl-1-methylpyrazol-3-yl)-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 167951590) is 2-N-(5-cyclopropyl-1-methylpyrazol-3-yl)-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(5-cyclopropyl-1-methylpyrazol-3-yl)-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(5-cyclopropyl-1-methylpyrazol-3-yl)-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine is CN(C)c1cc(C(F)(F)F)nc(Nc2cc(C3CC3)n(C)n2)n1.
What is the InChIKey of 2-N-(5-cyclopropyl-1-methylpyrazol-3-yl)-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is XZFMDWAAGOVTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N6/c1-22(2)12-7-10(14(15,16)17)18-13(20-12)19-11-6-9(8-4-5-8)23(3)21-11/h6-8H,4-5H2,1-3H3,(H,18,19,20,21).
What are the key properties of 2-N-(5-cyclopropyl-1-methylpyrazol-3-yl)-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
2-N-(5-cyclopropyl-1-methylpyrazol-3-yl)-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 326.33 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-cyclopropyl-1-methylpyrazol-3-yl)-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 167951590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).