2-tert-butyl-6-(3,5-diethyl-1,2,4-triazol-1-yl)pyrimidin-4-amine

C14H22N6 — CID 80965269

IUPAC2-tert-butyl-6-(3,5-diethyl-1,2,4-triazol-1-yl)pyrimidin-4-amine
SMILESCCc1nc(CC)n(-c2cc(N)nc(C(C)(C)C)n2)n1
InChIInChI=1S/C14H22N6/c1-6-10-17-11(7-2)20(19-10)12-8-9(15)16-13(18-12)14(3,4)5/h8H,6-7H2,1-5H3,(H2,15,16,18)
InChIKeySNRGIDZOSZFVSW-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.06
Rot. Bonds3

About 2-tert-butyl-6-(3,5-diethyl-1,2,4-triazol-1-yl)pyrimidin-4-amine

2-tert-butyl-6-(3,5-diethyl-1,2,4-triazol-1-yl)pyrimidin-4-amine (PubChem CID 80965269) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-tert-butyl-6-(3,5-diethyl-1,2,4-triazol-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-(3,5-diethyl-1,2,4-triazol-1-yl)pyrimidin-4-amine
PubChem CID80965269
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC Name2-tert-butyl-6-(3,5-diethyl-1,2,4-triazol-1-yl)pyrimidin-4-amine
SMILESCCc1nc(CC)n(-c2cc(N)nc(C(C)(C)C)n2)n1
InChIInChI=1S/C14H22N6/c1-6-10-17-11(7-2)20(19-10)12-8-9(15)16-13(18-12)14(3,4)5/h8H,6-7H2,1-5H3,(H2,15,16,18)
InChIKeySNRGIDZOSZFVSW-UHFFFAOYSA-N
XLogP2.06
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(3,5-diethyl-1,2,4-triazol-1-yl)pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-(3,5-diethyl-1,2,4-triazol-1-yl)pyrimidin-4-amine (CID 80965269) is 2-tert-butyl-6-(3,5-diethyl-1,2,4-triazol-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-(3,5-diethyl-1,2,4-triazol-1-yl)pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-(3,5-diethyl-1,2,4-triazol-1-yl)pyrimidin-4-amine is CCc1nc(CC)n(-c2cc(N)nc(C(C)(C)C)n2)n1.
What is the InChIKey of 2-tert-butyl-6-(3,5-diethyl-1,2,4-triazol-1-yl)pyrimidin-4-amine?
The InChIKey is SNRGIDZOSZFVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6/c1-6-10-17-11(7-2)20(19-10)12-8-9(15)16-13(18-12)14(3,4)5/h8H,6-7H2,1-5H3,(H2,15,16,18).
What are the key properties of 2-tert-butyl-6-(3,5-diethyl-1,2,4-triazol-1-yl)pyrimidin-4-amine?
2-tert-butyl-6-(3,5-diethyl-1,2,4-triazol-1-yl)pyrimidin-4-amine has a molecular weight of 274.37 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(3,5-diethyl-1,2,4-triazol-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 80965269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).