4-N-(1-pyrazol-1-ylpropan-2-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine

C11H13F3N6 — CID 106771160

IUPAC4-N-(1-pyrazol-1-ylpropan-2-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCC(Cn1cccn1)Nc1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C11H13F3N6/c1-7(6-20-4-2-3-16-20)17-9-5-8(15)18-10(19-9)11(12,13)14/h2-5,7H,6H2,1H3,(H3,15,17,18,19)
InChIKeyVOIQMYNVGSYXLA-UHFFFAOYSA-N
MW286.26 g/mol
LogP1.77
Rot. Bonds4

About 4-N-(1-pyrazol-1-ylpropan-2-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine

4-N-(1-pyrazol-1-ylpropan-2-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine (PubChem CID 106771160) has the molecular formula C11H13F3N6 and a molecular weight of 286.26 g/mol. Its IUPAC name is 4-N-(1-pyrazol-1-ylpropan-2-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(1-pyrazol-1-ylpropan-2-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
PubChem CID106771160
Molecular FormulaC11H13F3N6
Molecular Weight286.26 g/mol
Exact Mass286.12
IUPAC Name4-N-(1-pyrazol-1-ylpropan-2-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCC(Cn1cccn1)Nc1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C11H13F3N6/c1-7(6-20-4-2-3-16-20)17-9-5-8(15)18-10(19-9)11(12,13)14/h2-5,7H,6H2,1H3,(H3,15,17,18,19)
InChIKeyVOIQMYNVGSYXLA-UHFFFAOYSA-N
XLogP1.77
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-(1-pyrazol-1-ylpropan-2-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(1-pyrazol-1-ylpropan-2-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine (CID 106771160) is 4-N-(1-pyrazol-1-ylpropan-2-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(1-pyrazol-1-ylpropan-2-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(1-pyrazol-1-ylpropan-2-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine is CC(Cn1cccn1)Nc1cc(N)nc(C(F)(F)F)n1.
What is the InChIKey of 4-N-(1-pyrazol-1-ylpropan-2-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The InChIKey is VOIQMYNVGSYXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N6/c1-7(6-20-4-2-3-16-20)17-9-5-8(15)18-10(19-9)11(12,13)14/h2-5,7H,6H2,1H3,(H3,15,17,18,19).
What are the key properties of 4-N-(1-pyrazol-1-ylpropan-2-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
4-N-(1-pyrazol-1-ylpropan-2-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine has a molecular weight of 286.26 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-pyrazol-1-ylpropan-2-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106771160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).