6-(2-methylimidazol-1-yl)pyrimidin-4-amine

C8H9N5 — CID 66520239

IUPAC6-(2-methylimidazol-1-yl)pyrimidin-4-amine
SMILESCc1nccn1-c1cc(N)ncn1
InChIInChI=1S/C8H9N5/c1-6-10-2-3-13(6)8-4-7(9)11-5-12-8/h2-5H,1H3,(H2,9,11,12)
InChIKeyRGWFKUKKGLNZCM-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.55
Rot. Bonds1

About 6-(2-methylimidazol-1-yl)pyrimidin-4-amine

6-(2-methylimidazol-1-yl)pyrimidin-4-amine (PubChem CID 66520239) has the molecular formula C8H9N5 and a molecular weight of 175.19 g/mol. Its IUPAC name is 6-(2-methylimidazol-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-methylimidazol-1-yl)pyrimidin-4-amine
PubChem CID66520239
Molecular FormulaC8H9N5
Molecular Weight175.19 g/mol
Exact Mass175.09
IUPAC Name6-(2-methylimidazol-1-yl)pyrimidin-4-amine
SMILESCc1nccn1-c1cc(N)ncn1
InChIInChI=1S/C8H9N5/c1-6-10-2-3-13(6)8-4-7(9)11-5-12-8/h2-5H,1H3,(H2,9,11,12)
InChIKeyRGWFKUKKGLNZCM-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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylimidazol-1-yl)pyrimidin-4-amine?
The IUPAC name of 6-(2-methylimidazol-1-yl)pyrimidin-4-amine (CID 66520239) is 6-(2-methylimidazol-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-(2-methylimidazol-1-yl)pyrimidin-4-amine?
The canonical SMILES for 6-(2-methylimidazol-1-yl)pyrimidin-4-amine is Cc1nccn1-c1cc(N)ncn1.
What is the InChIKey of 6-(2-methylimidazol-1-yl)pyrimidin-4-amine?
The InChIKey is RGWFKUKKGLNZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5/c1-6-10-2-3-13(6)8-4-7(9)11-5-12-8/h2-5H,1H3,(H2,9,11,12).
What are the key properties of 6-(2-methylimidazol-1-yl)pyrimidin-4-amine?
6-(2-methylimidazol-1-yl)pyrimidin-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-(2-methylimidazol-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 66520239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).