4-(2-methylpyrimidin-4-yl)aniline

C11H11N3 — CID 18526376

IUPAC4-(2-methylpyrimidin-4-yl)aniline
SMILESCc1nccc(-c2ccc(N)cc2)n1
InChIInChI=1S/C11H11N3/c1-8-13-7-6-11(14-8)9-2-4-10(12)5-3-9/h2-7H,12H2,1H3
InChIKeyUGDVEDDQRSXEOM-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.03
Rot. Bonds1

About 4-(2-methylpyrimidin-4-yl)aniline

4-(2-methylpyrimidin-4-yl)aniline (PubChem CID 18526376) has the molecular formula C11H11N3 and a molecular weight of 185.23 g/mol. Its IUPAC name is 4-(2-methylpyrimidin-4-yl)aniline.

Molecular Properties

Compound Name4-(2-methylpyrimidin-4-yl)aniline
PubChem CID18526376
Molecular FormulaC11H11N3
Molecular Weight185.23 g/mol
Exact Mass185.10
IUPAC Name4-(2-methylpyrimidin-4-yl)aniline
SMILESCc1nccc(-c2ccc(N)cc2)n1
InChIInChI=1S/C11H11N3/c1-8-13-7-6-11(14-8)9-2-4-10(12)5-3-9/h2-7H,12H2,1H3
InChIKeyUGDVEDDQRSXEOM-UHFFFAOYSA-N
XLogP2.03
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpyrimidin-4-yl)aniline?
The IUPAC name of 4-(2-methylpyrimidin-4-yl)aniline (CID 18526376) is 4-(2-methylpyrimidin-4-yl)aniline.
What is the SMILES notation for 4-(2-methylpyrimidin-4-yl)aniline?
The canonical SMILES for 4-(2-methylpyrimidin-4-yl)aniline is Cc1nccc(-c2ccc(N)cc2)n1.
What is the InChIKey of 4-(2-methylpyrimidin-4-yl)aniline?
The InChIKey is UGDVEDDQRSXEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3/c1-8-13-7-6-11(14-8)9-2-4-10(12)5-3-9/h2-7H,12H2,1H3.
What are the key properties of 4-(2-methylpyrimidin-4-yl)aniline?
4-(2-methylpyrimidin-4-yl)aniline has a molecular weight of 185.23 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpyrimidin-4-yl)aniline is sourced from PubChem (CID 18526376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).