N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-5,6-dimethylpyrimidin-4-amine

C13H20N6 — CID 72841747

IUPACN-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-5,6-dimethylpyrimidin-4-amine
SMILESCc1nc(C)n(CCCNc2ncnc(C)c2C)n1
InChIInChI=1S/C13H20N6/c1-9-10(2)15-8-16-13(9)14-6-5-7-19-12(4)17-11(3)18-19/h8H,5-7H2,1-4H3,(H,14,15,16)
InChIKeyHGLZPBOJLNJGOK-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.80
Rot. Bonds5

About N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-5,6-dimethylpyrimidin-4-amine

N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-5,6-dimethylpyrimidin-4-amine (PubChem CID 72841747) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-5,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-5,6-dimethylpyrimidin-4-amine
PubChem CID72841747
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC NameN-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-5,6-dimethylpyrimidin-4-amine
SMILESCc1nc(C)n(CCCNc2ncnc(C)c2C)n1
InChIInChI=1S/C13H20N6/c1-9-10(2)15-8-16-13(9)14-6-5-7-19-12(4)17-11(3)18-19/h8H,5-7H2,1-4H3,(H,14,15,16)
InChIKeyHGLZPBOJLNJGOK-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-5,6-dimethylpyrimidin-4-amine?
The IUPAC name of N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-5,6-dimethylpyrimidin-4-amine (CID 72841747) is N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-5,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-5,6-dimethylpyrimidin-4-amine?
The canonical SMILES for N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-5,6-dimethylpyrimidin-4-amine is Cc1nc(C)n(CCCNc2ncnc(C)c2C)n1.
What is the InChIKey of N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-5,6-dimethylpyrimidin-4-amine?
The InChIKey is HGLZPBOJLNJGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-9-10(2)15-8-16-13(9)14-6-5-7-19-12(4)17-11(3)18-19/h8H,5-7H2,1-4H3,(H,14,15,16).
What are the key properties of N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-5,6-dimethylpyrimidin-4-amine?
N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-5,6-dimethylpyrimidin-4-amine has a molecular weight of 260.34 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-5,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 72841747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).