5-ethyl-N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-methylpyrimidin-4-amine

C14H22N6 — CID 50978867

IUPAC5-ethyl-N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-methylpyrimidin-4-amine
SMILESCCc1cnc(C)nc1NC(CC)c1ncnn1CC
InChIInChI=1S/C14H22N6/c1-5-11-8-15-10(4)18-13(11)19-12(6-2)14-16-9-17-20(14)7-3/h8-9,12H,5-7H2,1-4H3,(H,15,18,19)
InChIKeyFTFHBUAMXYKSJO-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.52
Rot. Bonds6

About 5-ethyl-N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-methylpyrimidin-4-amine

5-ethyl-N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-methylpyrimidin-4-amine (PubChem CID 50978867) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is 5-ethyl-N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-methylpyrimidin-4-amine
PubChem CID50978867
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC Name5-ethyl-N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-methylpyrimidin-4-amine
SMILESCCc1cnc(C)nc1NC(CC)c1ncnn1CC
InChIInChI=1S/C14H22N6/c1-5-11-8-15-10(4)18-13(11)19-12(6-2)14-16-9-17-20(14)7-3/h8-9,12H,5-7H2,1-4H3,(H,15,18,19)
InChIKeyFTFHBUAMXYKSJO-UHFFFAOYSA-N
XLogP2.52
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-methylpyrimidin-4-amine?
The IUPAC name of 5-ethyl-N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-methylpyrimidin-4-amine (CID 50978867) is 5-ethyl-N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for 5-ethyl-N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-methylpyrimidin-4-amine is CCc1cnc(C)nc1NC(CC)c1ncnn1CC.
What is the InChIKey of 5-ethyl-N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-methylpyrimidin-4-amine?
The InChIKey is FTFHBUAMXYKSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6/c1-5-11-8-15-10(4)18-13(11)19-12(6-2)14-16-9-17-20(14)7-3/h8-9,12H,5-7H2,1-4H3,(H,15,18,19).
What are the key properties of 5-ethyl-N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-methylpyrimidin-4-amine?
5-ethyl-N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-methylpyrimidin-4-amine has a molecular weight of 274.37 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 50978867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).