6-(2-propylpyrazol-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine

C11H12F3N5 — CID 106769510

IUPAC6-(2-propylpyrazol-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCCn1nccc1-c1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C11H12F3N5/c1-2-5-19-8(3-4-16-19)7-6-9(15)18-10(17-7)11(12,13)14/h3-4,6H,2,5H2,1H3,(H2,15,17,18)
InChIKeyITYHXNATHDUHPQ-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.35
Rot. Bonds3

About 6-(2-propylpyrazol-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine

6-(2-propylpyrazol-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106769510) has the molecular formula C11H12F3N5 and a molecular weight of 271.25 g/mol. Its IUPAC name is 6-(2-propylpyrazol-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-propylpyrazol-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106769510
Molecular FormulaC11H12F3N5
Molecular Weight271.25 g/mol
Exact Mass271.10
IUPAC Name6-(2-propylpyrazol-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCCn1nccc1-c1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C11H12F3N5/c1-2-5-19-8(3-4-16-19)7-6-9(15)18-10(17-7)11(12,13)14/h3-4,6H,2,5H2,1H3,(H2,15,17,18)
InChIKeyITYHXNATHDUHPQ-UHFFFAOYSA-N
XLogP2.35
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-propylpyrazol-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-(2-propylpyrazol-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine (CID 106769510) is 6-(2-propylpyrazol-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(2-propylpyrazol-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(2-propylpyrazol-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine is CCCn1nccc1-c1cc(N)nc(C(F)(F)F)n1.
What is the InChIKey of 6-(2-propylpyrazol-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is ITYHXNATHDUHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5/c1-2-5-19-8(3-4-16-19)7-6-9(15)18-10(17-7)11(12,13)14/h3-4,6H,2,5H2,1H3,(H2,15,17,18).
What are the key properties of 6-(2-propylpyrazol-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
6-(2-propylpyrazol-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 271.25 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-propylpyrazol-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106769510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).