N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-4,6-dimethylpyrimidin-2-amine

C13H20N6 — CID 50972695

IUPACN-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-4,6-dimethylpyrimidin-2-amine
SMILESCCC(Nc1nc(C)cc(C)n1)c1ncnn1CC
InChIInChI=1S/C13H20N6/c1-5-11(12-14-8-15-19(12)6-2)18-13-16-9(3)7-10(4)17-13/h7-8,11H,5-6H2,1-4H3,(H,16,17,18)
InChIKeyUPHUNMRWGHTVMV-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.27
Rot. Bonds5

About N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-4,6-dimethylpyrimidin-2-amine

N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-4,6-dimethylpyrimidin-2-amine (PubChem CID 50972695) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-4,6-dimethylpyrimidin-2-amine
PubChem CID50972695
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC NameN-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-4,6-dimethylpyrimidin-2-amine
SMILESCCC(Nc1nc(C)cc(C)n1)c1ncnn1CC
InChIInChI=1S/C13H20N6/c1-5-11(12-14-8-15-19(12)6-2)18-13-16-9(3)7-10(4)17-13/h7-8,11H,5-6H2,1-4H3,(H,16,17,18)
InChIKeyUPHUNMRWGHTVMV-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-4,6-dimethylpyrimidin-2-amine (CID 50972695) is N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-4,6-dimethylpyrimidin-2-amine is CCC(Nc1nc(C)cc(C)n1)c1ncnn1CC.
What is the InChIKey of N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-4,6-dimethylpyrimidin-2-amine?
The InChIKey is UPHUNMRWGHTVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-5-11(12-14-8-15-19(12)6-2)18-13-16-9(3)7-10(4)17-13/h7-8,11H,5-6H2,1-4H3,(H,16,17,18).
What are the key properties of N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-4,6-dimethylpyrimidin-2-amine?
N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-4,6-dimethylpyrimidin-2-amine has a molecular weight of 260.34 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 50972695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).