6-(3,5-diethyl-1,2,4-triazol-1-yl)-5-ethyl-N-methylpyrimidin-4-amine

C13H20N6 — CID 80867685

IUPAC6-(3,5-diethyl-1,2,4-triazol-1-yl)-5-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1nc(CC)n(-c2ncnc(NC)c2CC)n1
InChIInChI=1S/C13H20N6/c1-5-9-12(14-4)15-8-16-13(9)19-11(7-3)17-10(6-2)18-19/h8H,5-7H2,1-4H3,(H,14,15,16)
InChIKeyZLFLSYDJURWEIJ-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.79
Rot. Bonds5

About 6-(3,5-diethyl-1,2,4-triazol-1-yl)-5-ethyl-N-methylpyrimidin-4-amine

6-(3,5-diethyl-1,2,4-triazol-1-yl)-5-ethyl-N-methylpyrimidin-4-amine (PubChem CID 80867685) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is 6-(3,5-diethyl-1,2,4-triazol-1-yl)-5-ethyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,5-diethyl-1,2,4-triazol-1-yl)-5-ethyl-N-methylpyrimidin-4-amine
PubChem CID80867685
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC Name6-(3,5-diethyl-1,2,4-triazol-1-yl)-5-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1nc(CC)n(-c2ncnc(NC)c2CC)n1
InChIInChI=1S/C13H20N6/c1-5-9-12(14-4)15-8-16-13(9)19-11(7-3)17-10(6-2)18-19/h8H,5-7H2,1-4H3,(H,14,15,16)
InChIKeyZLFLSYDJURWEIJ-UHFFFAOYSA-N
XLogP1.79
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3,5-diethyl-1,2,4-triazol-1-yl)-N,5-diethylpyrimidin-4-amine
CID 80867775
6-(3,5-diethyl-1,2,4-triazol-1-yl)-5-ethyl-N-propylpyrimidin-4-amine
CID 80843439
6-(3,5-diethylpyrazol-1-yl)-5-ethyl-N-methylpyrimidin-4-amine
CID 82698482
5-chloro-4-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methylpyrimidin-2-amine
CID 80867774
6-(3,5-diethyl-1,2,4-triazol-1-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 80989279
5-ethyl-N-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 80763765
5-ethyl-N-methyl-6-(3-methylpyrazol-1-yl)pyrimidin-4-amine
CID 80857839
6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methylpyridin-2-amine
CID 80868281
[6-(3,5-diethyl-1,2,4-triazol-1-yl)pyrimidin-4-yl]hydrazine
CID 80902698
6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-methyl-5-propylpyrimidin-4-amine
CID 80856969
1-[5-ethyl-6-(methylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol
CID 81108542
5-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80770928

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-diethyl-1,2,4-triazol-1-yl)-5-ethyl-N-methylpyrimidin-4-amine?
The IUPAC name of 6-(3,5-diethyl-1,2,4-triazol-1-yl)-5-ethyl-N-methylpyrimidin-4-amine (CID 80867685) is 6-(3,5-diethyl-1,2,4-triazol-1-yl)-5-ethyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(3,5-diethyl-1,2,4-triazol-1-yl)-5-ethyl-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-(3,5-diethyl-1,2,4-triazol-1-yl)-5-ethyl-N-methylpyrimidin-4-amine is CCc1nc(CC)n(-c2ncnc(NC)c2CC)n1.
What is the InChIKey of 6-(3,5-diethyl-1,2,4-triazol-1-yl)-5-ethyl-N-methylpyrimidin-4-amine?
The InChIKey is ZLFLSYDJURWEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-5-9-12(14-4)15-8-16-13(9)19-11(7-3)17-10(6-2)18-19/h8H,5-7H2,1-4H3,(H,14,15,16).
What are the key properties of 6-(3,5-diethyl-1,2,4-triazol-1-yl)-5-ethyl-N-methylpyrimidin-4-amine?
6-(3,5-diethyl-1,2,4-triazol-1-yl)-5-ethyl-N-methylpyrimidin-4-amine has a molecular weight of 260.34 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-diethyl-1,2,4-triazol-1-yl)-5-ethyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 80867685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).