N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2,5,6-trimethylpyrimidin-4-amine

C13H20N6 — CID 97148960

IUPACN-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2,5,6-trimethylpyrimidin-4-amine
SMILESCCn1ncnc1[C@H](C)Nc1nc(C)nc(C)c1C
InChIInChI=1S/C13H20N6/c1-6-19-13(14-7-15-19)10(4)17-12-8(2)9(3)16-11(5)18-12/h7,10H,6H2,1-5H3,(H,16,17,18)/t10-/m0/s1
InChIKeyGLJSUGIUJATVSV-JTQLQIEISA-N
MW260.34 g/mol
LogP2.19
Rot. Bonds4

About N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2,5,6-trimethylpyrimidin-4-amine

N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2,5,6-trimethylpyrimidin-4-amine (PubChem CID 97148960) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2,5,6-trimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2,5,6-trimethylpyrimidin-4-amine
PubChem CID97148960
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC NameN-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2,5,6-trimethylpyrimidin-4-amine
SMILESCCn1ncnc1[C@H](C)Nc1nc(C)nc(C)c1C
InChIInChI=1S/C13H20N6/c1-6-19-13(14-7-15-19)10(4)17-12-8(2)9(3)16-11(5)18-12/h7,10H,6H2,1-5H3,(H,16,17,18)/t10-/m0/s1
InChIKeyGLJSUGIUJATVSV-JTQLQIEISA-N
XLogP2.19
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2,5,6-trimethylpyrimidin-4-amine?
The IUPAC name of N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2,5,6-trimethylpyrimidin-4-amine (CID 97148960) is N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2,5,6-trimethylpyrimidin-4-amine.
What is the SMILES notation for N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2,5,6-trimethylpyrimidin-4-amine?
The canonical SMILES for N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2,5,6-trimethylpyrimidin-4-amine is CCn1ncnc1[C@H](C)Nc1nc(C)nc(C)c1C.
What is the InChIKey of N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2,5,6-trimethylpyrimidin-4-amine?
The InChIKey is GLJSUGIUJATVSV-JTQLQIEISA-N. The full InChI is InChI=1S/C13H20N6/c1-6-19-13(14-7-15-19)10(4)17-12-8(2)9(3)16-11(5)18-12/h7,10H,6H2,1-5H3,(H,16,17,18)/t10-/m0/s1.
What are the key properties of N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2,5,6-trimethylpyrimidin-4-amine?
N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2,5,6-trimethylpyrimidin-4-amine has a molecular weight of 260.34 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2,5,6-trimethylpyrimidin-4-amine is sourced from PubChem (CID 97148960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).