4-N-(2-pyridin-2-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine

C12H12F3N5 — CID 114563804

IUPAC4-N-(2-pyridin-2-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESNc1nc(NCCc2ccccn2)cc(C(F)(F)F)n1
InChIInChI=1S/C12H12F3N5/c13-12(14,15)9-7-10(20-11(16)19-9)18-6-4-8-3-1-2-5-17-8/h1-3,5,7H,4,6H2,(H3,16,18,19,20)
InChIKeyLIYKUXAGSYDFTR-UHFFFAOYSA-N
MW283.26 g/mol
LogP2.13
Rot. Bonds4

About 4-N-(2-pyridin-2-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine

4-N-(2-pyridin-2-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 114563804) has the molecular formula C12H12F3N5 and a molecular weight of 283.26 g/mol. Its IUPAC name is 4-N-(2-pyridin-2-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-pyridin-2-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID114563804
Molecular FormulaC12H12F3N5
Molecular Weight283.26 g/mol
Exact Mass283.10
IUPAC Name4-N-(2-pyridin-2-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESNc1nc(NCCc2ccccn2)cc(C(F)(F)F)n1
InChIInChI=1S/C12H12F3N5/c13-12(14,15)9-7-10(20-11(16)19-9)18-6-4-8-3-1-2-5-17-8/h1-3,5,7H,4,6H2,(H3,16,18,19,20)
InChIKeyLIYKUXAGSYDFTR-UHFFFAOYSA-N
XLogP2.13
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.26
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-pyridin-2-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-pyridin-2-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 114563804) is 4-N-(2-pyridin-2-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-pyridin-2-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-pyridin-2-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine is Nc1nc(NCCc2ccccn2)cc(C(F)(F)F)n1.
What is the InChIKey of 4-N-(2-pyridin-2-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is LIYKUXAGSYDFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N5/c13-12(14,15)9-7-10(20-11(16)19-9)18-6-4-8-3-1-2-5-17-8/h1-3,5,7H,4,6H2,(H3,16,18,19,20).
What are the key properties of 4-N-(2-pyridin-2-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-(2-pyridin-2-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 283.26 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-pyridin-2-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 114563804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).