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

C13H20N6 — CID 83189560

IUPACN-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine
SMILESCc1nc(C)n(-c2ncc(CNC(C)C)c(C)n2)n1
InChIInChI=1S/C13H20N6/c1-8(2)14-6-12-7-15-13(16-9(12)3)19-11(5)17-10(4)18-19/h7-8,14H,6H2,1-5H3
InChIKeyHWCKIJBVYMQAFN-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.48
Rot. Bonds4

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

N-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine (PubChem CID 83189560) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine
PubChem CID83189560
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC NameN-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine
SMILESCc1nc(C)n(-c2ncc(CNC(C)C)c(C)n2)n1
InChIInChI=1S/C13H20N6/c1-8(2)14-6-12-7-15-13(16-9(12)3)19-11(5)17-10(4)18-19/h7-8,14H,6H2,1-5H3
InChIKeyHWCKIJBVYMQAFN-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-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-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine (CID 83189560) is N-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine is Cc1nc(C)n(-c2ncc(CNC(C)C)c(C)n2)n1.
What is the InChIKey of N-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine?
The InChIKey is HWCKIJBVYMQAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-8(2)14-6-12-7-15-13(16-9(12)3)19-11(5)17-10(4)18-19/h7-8,14H,6H2,1-5H3.
What are the key properties of N-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine?
N-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine has a molecular weight of 260.34 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 83189560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).