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

C11H15F3N6 — CID 150072852

IUPAC2-(1,3-dimethylpyrazol-4-yl)-6-N-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,6-diamine
SMILESCNC1=C(C(F)(F)F)C=NC(N)(c2cn(C)nc2C)N1
InChIInChI=1S/C11H15F3N6/c1-6-8(5-20(3)19-6)11(15)17-4-7(10(12,13)14)9(16-2)18-11/h4-5,16,18H,15H2,1-3H3
InChIKeyDGHWODVIURSMLD-UHFFFAOYSA-N
MW288.28 g/mol
LogP0.46
Rot. Bonds2

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

2-(1,3-dimethylpyrazol-4-yl)-6-N-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,6-diamine (PubChem CID 150072852) has the molecular formula C11H15F3N6 and a molecular weight of 288.28 g/mol. Its IUPAC name is 2-(1,3-dimethylpyrazol-4-yl)-6-N-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,6-diamine.

Molecular Properties

Compound Name2-(1,3-dimethylpyrazol-4-yl)-6-N-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,6-diamine
PubChem CID150072852
Molecular FormulaC11H15F3N6
Molecular Weight288.28 g/mol
Exact Mass288.13
IUPAC Name2-(1,3-dimethylpyrazol-4-yl)-6-N-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,6-diamine
SMILESCNC1=C(C(F)(F)F)C=NC(N)(c2cn(C)nc2C)N1
InChIInChI=1S/C11H15F3N6/c1-6-8(5-20(3)19-6)11(15)17-4-7(10(12,13)14)9(16-2)18-11/h4-5,16,18H,15H2,1-3H3
InChIKeyDGHWODVIURSMLD-UHFFFAOYSA-N
XLogP0.46
TPSA80.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethylpyrazol-4-yl)-6-N-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,6-diamine?
The IUPAC name of 2-(1,3-dimethylpyrazol-4-yl)-6-N-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,6-diamine (CID 150072852) is 2-(1,3-dimethylpyrazol-4-yl)-6-N-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,6-diamine.
What is the SMILES notation for 2-(1,3-dimethylpyrazol-4-yl)-6-N-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,6-diamine?
The canonical SMILES for 2-(1,3-dimethylpyrazol-4-yl)-6-N-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,6-diamine is CNC1=C(C(F)(F)F)C=NC(N)(c2cn(C)nc2C)N1.
What is the InChIKey of 2-(1,3-dimethylpyrazol-4-yl)-6-N-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,6-diamine?
The InChIKey is DGHWODVIURSMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N6/c1-6-8(5-20(3)19-6)11(15)17-4-7(10(12,13)14)9(16-2)18-11/h4-5,16,18H,15H2,1-3H3.
What are the key properties of 2-(1,3-dimethylpyrazol-4-yl)-6-N-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,6-diamine?
2-(1,3-dimethylpyrazol-4-yl)-6-N-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,6-diamine has a molecular weight of 288.28 g/mol, XLogP of 0.46, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethylpyrazol-4-yl)-6-N-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,6-diamine is sourced from PubChem (CID 150072852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).