6-[2-(4-methyl-2-propan-2-ylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine

C12H19N7 — CID 59955653

IUPAC6-[2-(4-methyl-2-propan-2-ylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCc1cn(CCc2nc(N)nc(N)n2)c(C(C)C)n1
InChIInChI=1S/C12H19N7/c1-7(2)10-15-8(3)6-19(10)5-4-9-16-11(13)18-12(14)17-9/h6-7H,4-5H2,1-3H3,(H4,13,14,16,17,18)
InChIKeyIBIPNIMVEQURCS-UHFFFAOYSA-N
MW261.33 g/mol
LogP0.91
Rot. Bonds4

About 6-[2-(4-methyl-2-propan-2-ylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine

6-[2-(4-methyl-2-propan-2-ylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 59955653) has the molecular formula C12H19N7 and a molecular weight of 261.33 g/mol. Its IUPAC name is 6-[2-(4-methyl-2-propan-2-ylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[2-(4-methyl-2-propan-2-ylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine
PubChem CID59955653
Molecular FormulaC12H19N7
Molecular Weight261.33 g/mol
Exact Mass261.17
IUPAC Name6-[2-(4-methyl-2-propan-2-ylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCc1cn(CCc2nc(N)nc(N)n2)c(C(C)C)n1
InChIInChI=1S/C12H19N7/c1-7(2)10-15-8(3)6-19(10)5-4-9-16-11(13)18-12(14)17-9/h6-7H,4-5H2,1-3H3,(H4,13,14,16,17,18)
InChIKeyIBIPNIMVEQURCS-UHFFFAOYSA-N
XLogP0.91
TPSA108.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[2-(4-methyl-2-propan-2-ylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine 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 6-[2-(4-methyl-2-propan-2-ylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[2-(4-methyl-2-propan-2-ylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine (CID 59955653) is 6-[2-(4-methyl-2-propan-2-ylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[2-(4-methyl-2-propan-2-ylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[2-(4-methyl-2-propan-2-ylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine is Cc1cn(CCc2nc(N)nc(N)n2)c(C(C)C)n1.
What is the InChIKey of 6-[2-(4-methyl-2-propan-2-ylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is IBIPNIMVEQURCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7/c1-7(2)10-15-8(3)6-19(10)5-4-9-16-11(13)18-12(14)17-9/h6-7H,4-5H2,1-3H3,(H4,13,14,16,17,18).
What are the key properties of 6-[2-(4-methyl-2-propan-2-ylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine?
6-[2-(4-methyl-2-propan-2-ylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 261.33 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-methyl-2-propan-2-ylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 59955653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).