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

C14H22N6 — CID 126452125

IUPACN-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-4-ethyl-5-methylpyrimidin-2-amine
SMILESCCc1nc(NCCCn2nc(C)nc2C)ncc1C
InChIInChI=1S/C14H22N6/c1-5-13-10(2)9-16-14(18-13)15-7-6-8-20-12(4)17-11(3)19-20/h9H,5-8H2,1-4H3,(H,15,16,18)
InChIKeyZKJJINRXGAEVSN-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.06
Rot. Bonds6

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

N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-4-ethyl-5-methylpyrimidin-2-amine (PubChem CID 126452125) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-4-ethyl-5-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-4-ethyl-5-methylpyrimidin-2-amine
PubChem CID126452125
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC NameN-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-4-ethyl-5-methylpyrimidin-2-amine
SMILESCCc1nc(NCCCn2nc(C)nc2C)ncc1C
InChIInChI=1S/C14H22N6/c1-5-13-10(2)9-16-14(18-13)15-7-6-8-20-12(4)17-11(3)19-20/h9H,5-8H2,1-4H3,(H,15,16,18)
InChIKeyZKJJINRXGAEVSN-UHFFFAOYSA-N
XLogP2.06
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-4-ethyl-5-methylpyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-4-ethyl-5-methylpyrimidin-2-amine?
The IUPAC name of N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-4-ethyl-5-methylpyrimidin-2-amine (CID 126452125) is N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-4-ethyl-5-methylpyrimidin-2-amine.
What is the SMILES notation for N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-4-ethyl-5-methylpyrimidin-2-amine?
The canonical SMILES for N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-4-ethyl-5-methylpyrimidin-2-amine is CCc1nc(NCCCn2nc(C)nc2C)ncc1C.
What is the InChIKey of N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-4-ethyl-5-methylpyrimidin-2-amine?
The InChIKey is ZKJJINRXGAEVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6/c1-5-13-10(2)9-16-14(18-13)15-7-6-8-20-12(4)17-11(3)19-20/h9H,5-8H2,1-4H3,(H,15,16,18).
What are the key properties of N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-4-ethyl-5-methylpyrimidin-2-amine?
N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-4-ethyl-5-methylpyrimidin-2-amine has a molecular weight of 274.37 g/mol, XLogP of 2.06, 6 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]-4-ethyl-5-methylpyrimidin-2-amine is sourced from PubChem (CID 126452125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).