6-(2-ethyl-1,2,4-triazol-3-yl)-5-methyl-2-propylpyrimidin-4-amine

C12H18N6 — CID 112744142

IUPAC6-(2-ethyl-1,2,4-triazol-3-yl)-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(N)c(C)c(-c2ncnn2CC)n1
InChIInChI=1S/C12H18N6/c1-4-6-9-16-10(8(3)11(13)17-9)12-14-7-15-18(12)5-2/h7H,4-6H2,1-3H3,(H2,13,16,17)
InChIKeyUJWNZICKCMCHCR-UHFFFAOYSA-N
MW246.32 g/mol
LogP1.60
Rot. Bonds4

About 6-(2-ethyl-1,2,4-triazol-3-yl)-5-methyl-2-propylpyrimidin-4-amine

6-(2-ethyl-1,2,4-triazol-3-yl)-5-methyl-2-propylpyrimidin-4-amine (PubChem CID 112744142) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is 6-(2-ethyl-1,2,4-triazol-3-yl)-5-methyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-ethyl-1,2,4-triazol-3-yl)-5-methyl-2-propylpyrimidin-4-amine
PubChem CID112744142
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name6-(2-ethyl-1,2,4-triazol-3-yl)-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(N)c(C)c(-c2ncnn2CC)n1
InChIInChI=1S/C12H18N6/c1-4-6-9-16-10(8(3)11(13)17-9)12-14-7-15-18(12)5-2/h7H,4-6H2,1-3H3,(H2,13,16,17)
InChIKeyUJWNZICKCMCHCR-UHFFFAOYSA-N
XLogP1.60
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-ethyl-1,2,4-triazol-3-yl)-5-methyl-2-propylpyrimidin-4-amine?
The IUPAC name of 6-(2-ethyl-1,2,4-triazol-3-yl)-5-methyl-2-propylpyrimidin-4-amine (CID 112744142) is 6-(2-ethyl-1,2,4-triazol-3-yl)-5-methyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-ethyl-1,2,4-triazol-3-yl)-5-methyl-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-(2-ethyl-1,2,4-triazol-3-yl)-5-methyl-2-propylpyrimidin-4-amine is CCCc1nc(N)c(C)c(-c2ncnn2CC)n1.
What is the InChIKey of 6-(2-ethyl-1,2,4-triazol-3-yl)-5-methyl-2-propylpyrimidin-4-amine?
The InChIKey is UJWNZICKCMCHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-4-6-9-16-10(8(3)11(13)17-9)12-14-7-15-18(12)5-2/h7H,4-6H2,1-3H3,(H2,13,16,17).
What are the key properties of 6-(2-ethyl-1,2,4-triazol-3-yl)-5-methyl-2-propylpyrimidin-4-amine?
6-(2-ethyl-1,2,4-triazol-3-yl)-5-methyl-2-propylpyrimidin-4-amine has a molecular weight of 246.32 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethyl-1,2,4-triazol-3-yl)-5-methyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 112744142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).