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

C11H13F3N6 — CID 69281678

IUPAC2-N-(1,3-dimethylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2cn(C)nc2C)ncc1C(F)(F)F
InChIInChI=1S/C11H13F3N6/c1-6-8(5-20(3)19-6)17-10-16-4-7(11(12,13)14)9(15-2)18-10/h4-5H,1-3H3,(H2,15,16,17,18)
InChIKeyUTBRMMZZLJGOHJ-UHFFFAOYSA-N
MW286.26 g/mol
LogP2.32
Rot. Bonds3

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

2-N-(1,3-dimethylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 69281678) has the molecular formula C11H13F3N6 and a molecular weight of 286.26 g/mol. Its IUPAC name is 2-N-(1,3-dimethylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(1,3-dimethylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID69281678
Molecular FormulaC11H13F3N6
Molecular Weight286.26 g/mol
Exact Mass286.12
IUPAC Name2-N-(1,3-dimethylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2cn(C)nc2C)ncc1C(F)(F)F
InChIInChI=1S/C11H13F3N6/c1-6-8(5-20(3)19-6)17-10-16-4-7(11(12,13)14)9(15-2)18-10/h4-5H,1-3H3,(H2,15,16,17,18)
InChIKeyUTBRMMZZLJGOHJ-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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Frequently Asked Questions

What is the IUPAC name of 2-N-(1,3-dimethylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(1,3-dimethylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 69281678) is 2-N-(1,3-dimethylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(1,3-dimethylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(1,3-dimethylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine is CNc1nc(Nc2cn(C)nc2C)ncc1C(F)(F)F.
What is the InChIKey of 2-N-(1,3-dimethylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is UTBRMMZZLJGOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N6/c1-6-8(5-20(3)19-6)17-10-16-4-7(11(12,13)14)9(15-2)18-10/h4-5H,1-3H3,(H2,15,16,17,18).
What are the key properties of 2-N-(1,3-dimethylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
2-N-(1,3-dimethylpyrazol-4-yl)-4-N-methyl-5-(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 2-N-(1,3-dimethylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 69281678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).