5-(6-methylpyrimidin-4-yl)-1H-pyrazol-4-amine

C8H9N5 — CID 82411176

IUPAC5-(6-methylpyrimidin-4-yl)-1H-pyrazol-4-amine
SMILESCc1cc(-c2[nH]ncc2N)ncn1
InChIInChI=1S/C8H9N5/c1-5-2-7(11-4-10-5)8-6(9)3-12-13-8/h2-4H,9H2,1H3,(H,12,13)
InChIKeyMLEXINJSBGWJDY-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.76
Rot. Bonds1

About 5-(6-methylpyrimidin-4-yl)-1H-pyrazol-4-amine

5-(6-methylpyrimidin-4-yl)-1H-pyrazol-4-amine (PubChem CID 82411176) has the molecular formula C8H9N5 and a molecular weight of 175.19 g/mol. Its IUPAC name is 5-(6-methylpyrimidin-4-yl)-1H-pyrazol-4-amine.

Molecular Properties

Compound Name5-(6-methylpyrimidin-4-yl)-1H-pyrazol-4-amine
PubChem CID82411176
Molecular FormulaC8H9N5
Molecular Weight175.19 g/mol
Exact Mass175.09
IUPAC Name5-(6-methylpyrimidin-4-yl)-1H-pyrazol-4-amine
SMILESCc1cc(-c2[nH]ncc2N)ncn1
InChIInChI=1S/C8H9N5/c1-5-2-7(11-4-10-5)8-6(9)3-12-13-8/h2-4H,9H2,1H3,(H,12,13)
InChIKeyMLEXINJSBGWJDY-UHFFFAOYSA-N
XLogP0.76
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(6-methylpyrimidin-4-yl)-1H-pyrazol-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 5-(6-methylpyrimidin-4-yl)-1H-pyrazol-4-amine?
The IUPAC name of 5-(6-methylpyrimidin-4-yl)-1H-pyrazol-4-amine (CID 82411176) is 5-(6-methylpyrimidin-4-yl)-1H-pyrazol-4-amine.
What is the SMILES notation for 5-(6-methylpyrimidin-4-yl)-1H-pyrazol-4-amine?
The canonical SMILES for 5-(6-methylpyrimidin-4-yl)-1H-pyrazol-4-amine is Cc1cc(-c2[nH]ncc2N)ncn1.
What is the InChIKey of 5-(6-methylpyrimidin-4-yl)-1H-pyrazol-4-amine?
The InChIKey is MLEXINJSBGWJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5/c1-5-2-7(11-4-10-5)8-6(9)3-12-13-8/h2-4H,9H2,1H3,(H,12,13).
What are the key properties of 5-(6-methylpyrimidin-4-yl)-1H-pyrazol-4-amine?
5-(6-methylpyrimidin-4-yl)-1H-pyrazol-4-amine has a molecular weight of 175.19 g/mol, XLogP of 0.76, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methylpyrimidin-4-yl)-1H-pyrazol-4-amine is sourced from PubChem (CID 82411176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).