2-(6-methylpyrimidin-4-yl)aniline

C11H11N3 — CID 82278535

IUPAC2-(6-methylpyrimidin-4-yl)aniline
SMILESCc1cc(-c2ccccc2N)ncn1
InChIInChI=1S/C11H11N3/c1-8-6-11(14-7-13-8)9-4-2-3-5-10(9)12/h2-7H,12H2,1H3
InChIKeyQRMZAOHGOVMBPO-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.03
Rot. Bonds1

About 2-(6-methylpyrimidin-4-yl)aniline

2-(6-methylpyrimidin-4-yl)aniline (PubChem CID 82278535) has the molecular formula C11H11N3 and a molecular weight of 185.23 g/mol. Its IUPAC name is 2-(6-methylpyrimidin-4-yl)aniline.

Molecular Properties

Compound Name2-(6-methylpyrimidin-4-yl)aniline
PubChem CID82278535
Molecular FormulaC11H11N3
Molecular Weight185.23 g/mol
Exact Mass185.10
IUPAC Name2-(6-methylpyrimidin-4-yl)aniline
SMILESCc1cc(-c2ccccc2N)ncn1
InChIInChI=1S/C11H11N3/c1-8-6-11(14-7-13-8)9-4-2-3-5-10(9)12/h2-7H,12H2,1H3
InChIKeyQRMZAOHGOVMBPO-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 2-(6-methylpyrimidin-4-yl)aniline?
The IUPAC name of 2-(6-methylpyrimidin-4-yl)aniline (CID 82278535) is 2-(6-methylpyrimidin-4-yl)aniline.
What is the SMILES notation for 2-(6-methylpyrimidin-4-yl)aniline?
The canonical SMILES for 2-(6-methylpyrimidin-4-yl)aniline is Cc1cc(-c2ccccc2N)ncn1.
What is the InChIKey of 2-(6-methylpyrimidin-4-yl)aniline?
The InChIKey is QRMZAOHGOVMBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3/c1-8-6-11(14-7-13-8)9-4-2-3-5-10(9)12/h2-7H,12H2,1H3.
What are the key properties of 2-(6-methylpyrimidin-4-yl)aniline?
2-(6-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 2-(6-methylpyrimidin-4-yl)aniline is sourced from PubChem (CID 82278535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).