2-(4,6-dimethylpyrimidin-2-yl)-4-methylaniline

C13H15N3 — CID 82471042

IUPAC2-(4,6-dimethylpyrimidin-2-yl)-4-methylaniline
SMILESCc1ccc(N)c(-c2nc(C)cc(C)n2)c1
InChIInChI=1S/C13H15N3/c1-8-4-5-12(14)11(6-8)13-15-9(2)7-10(3)16-13/h4-7H,14H2,1-3H3
InChIKeyICOKNVGRZMADBD-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.65
Rot. Bonds1

About 2-(4,6-dimethylpyrimidin-2-yl)-4-methylaniline

2-(4,6-dimethylpyrimidin-2-yl)-4-methylaniline (PubChem CID 82471042) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)-4-methylaniline.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)-4-methylaniline
PubChem CID82471042
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)-4-methylaniline
SMILESCc1ccc(N)c(-c2nc(C)cc(C)n2)c1
InChIInChI=1S/C13H15N3/c1-8-4-5-12(14)11(6-8)13-15-9(2)7-10(3)16-13/h4-7H,14H2,1-3H3
InChIKeyICOKNVGRZMADBD-UHFFFAOYSA-N
XLogP2.65
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-tert-butylpyrimidin-2-yl)-4-methylaniline
CID 82477593
2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylaniline
CID 65454715
5-(2-amino-5-methylphenyl)-1H-1,2,4-triazol-3-amine
CID 61319772
2-(2,5-dimethylphenyl)-N,6-dimethylpyrimidin-4-amine
CID 62190972
ethyl 3-(2-amino-5-methylphenyl)-1H-1,2,4-triazole-5-carboxylate
CID 66288201
3-(2-amino-5-methylphenyl)-2-methylaniline
CID 68787486
4-methyl-2-(2,3,5,6-tetrachlorophenyl)aniline
CID 55197887
2-(3,5-difluorophenyl)-4-methylaniline
CID 61025824
4-methyl-2-(1-propan-2-yltetrazol-5-yl)aniline
CID 65455458
4-(2-fluoro-5-methylphenyl)-6-methylpyrimidin-2-amine
CID 56704999
2-(2-fluorophenyl)-4-methylaniline
CID 62492091
2-(2,5-dimethylthiophen-3-yl)-4-methylaniline
CID 112557850

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)-4-methylaniline?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)-4-methylaniline (CID 82471042) is 2-(4,6-dimethylpyrimidin-2-yl)-4-methylaniline.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)-4-methylaniline?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)-4-methylaniline is Cc1ccc(N)c(-c2nc(C)cc(C)n2)c1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)-4-methylaniline?
The InChIKey is ICOKNVGRZMADBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-8-4-5-12(14)11(6-8)13-15-9(2)7-10(3)16-13/h4-7H,14H2,1-3H3.
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)-4-methylaniline?
2-(4,6-dimethylpyrimidin-2-yl)-4-methylaniline has a molecular weight of 213.28 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)-4-methylaniline is sourced from PubChem (CID 82471042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).