6-imidazol-1-yl-2-methylpyrimidin-4-amine

C8H9N5 — CID 80854231

IUPAC6-imidazol-1-yl-2-methylpyrimidin-4-amine
SMILESCc1nc(N)cc(-n2ccnc2)n1
InChIInChI=1S/C8H9N5/c1-6-11-7(9)4-8(12-6)13-3-2-10-5-13/h2-5H,1H3,(H2,9,11,12)
InChIKeyRCGQOOZYYPJUFO-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.55
Rot. Bonds1

About 6-imidazol-1-yl-2-methylpyrimidin-4-amine

6-imidazol-1-yl-2-methylpyrimidin-4-amine (PubChem CID 80854231) has the molecular formula C8H9N5 and a molecular weight of 175.19 g/mol. Its IUPAC name is 6-imidazol-1-yl-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-imidazol-1-yl-2-methylpyrimidin-4-amine
PubChem CID80854231
Molecular FormulaC8H9N5
Molecular Weight175.19 g/mol
Exact Mass175.09
IUPAC Name6-imidazol-1-yl-2-methylpyrimidin-4-amine
SMILESCc1nc(N)cc(-n2ccnc2)n1
InChIInChI=1S/C8H9N5/c1-6-11-7(9)4-8(12-6)13-3-2-10-5-13/h2-5H,1H3,(H2,9,11,12)
InChIKeyRCGQOOZYYPJUFO-UHFFFAOYSA-N
XLogP0.55
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-imidazol-1-yl-2-methylpyrimidin-4-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 6-imidazol-1-yl-2-methylpyrimidin-4-amine?
The IUPAC name of 6-imidazol-1-yl-2-methylpyrimidin-4-amine (CID 80854231) is 6-imidazol-1-yl-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-imidazol-1-yl-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-imidazol-1-yl-2-methylpyrimidin-4-amine is Cc1nc(N)cc(-n2ccnc2)n1.
What is the InChIKey of 6-imidazol-1-yl-2-methylpyrimidin-4-amine?
The InChIKey is RCGQOOZYYPJUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5/c1-6-11-7(9)4-8(12-6)13-3-2-10-5-13/h2-5H,1H3,(H2,9,11,12).
What are the key properties of 6-imidazol-1-yl-2-methylpyrimidin-4-amine?
6-imidazol-1-yl-2-methylpyrimidin-4-amine has a molecular weight of 175.19 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-2-methylpyrimidin-4-amine is sourced from PubChem (CID 80854231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).