3-(2-ethyl-6-methylpyrimidin-4-yl)aniline

C13H15N3 — CID 105466933

IUPAC3-(2-ethyl-6-methylpyrimidin-4-yl)aniline
SMILESCCc1nc(C)cc(-c2cccc(N)c2)n1
InChIInChI=1S/C13H15N3/c1-3-13-15-9(2)7-12(16-13)10-5-4-6-11(14)8-10/h4-8H,3,14H2,1-2H3
InChIKeyKRYTXMHYWPPFPX-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.60
Rot. Bonds2

About 3-(2-ethyl-6-methylpyrimidin-4-yl)aniline

3-(2-ethyl-6-methylpyrimidin-4-yl)aniline (PubChem CID 105466933) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-(2-ethyl-6-methylpyrimidin-4-yl)aniline.

Molecular Properties

Compound Name3-(2-ethyl-6-methylpyrimidin-4-yl)aniline
PubChem CID105466933
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name3-(2-ethyl-6-methylpyrimidin-4-yl)aniline
SMILESCCc1nc(C)cc(-c2cccc(N)c2)n1
InChIInChI=1S/C13H15N3/c1-3-13-15-9(2)7-12(16-13)10-5-4-6-11(14)8-10/h4-8H,3,14H2,1-2H3
InChIKeyKRYTXMHYWPPFPX-UHFFFAOYSA-N
XLogP2.60
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.60
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-(2-ethyl-6-methylpyrimidin-4-yl)aniline
CID 105466937
5-(2-ethyl-6-methylpyrimidin-4-yl)-1H-indole
CID 56720516
2-ethyl-4,6-dimethylpyrimidine
CID 23533396
3-(6-methylpyridazin-3-yl)aniline
CID 69120674
3-[4-(3-bromophenyl)-6-methylpyrimidin-2-yl]-2,2-dimethylpropan-1-amine
CID 116893114
2-ethyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 80935689
3-(5-methylimidazo[1,2-a]pyridin-2-yl)aniline
CID 2771080
3-[4-(3-bromophenyl)-6-methylpyrimidin-2-yl]propan-1-amine
CID 116892905
3-(4,6-diethylpyrimidin-2-yl)aniline
CID 55205096
3-[4,6-bis[3-(methylamino)phenyl]pyrimidin-2-yl]aniline
CID 143239907
3-[6-(3-aminophenyl)-4-[4-(3,5-diphenylphenyl)phenyl]-2-pyridinyl]aniline
CID 143332124
3-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline
CID 107504187

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-6-methylpyrimidin-4-yl)aniline?
The IUPAC name of 3-(2-ethyl-6-methylpyrimidin-4-yl)aniline (CID 105466933) is 3-(2-ethyl-6-methylpyrimidin-4-yl)aniline.
What is the SMILES notation for 3-(2-ethyl-6-methylpyrimidin-4-yl)aniline?
The canonical SMILES for 3-(2-ethyl-6-methylpyrimidin-4-yl)aniline is CCc1nc(C)cc(-c2cccc(N)c2)n1.
What is the InChIKey of 3-(2-ethyl-6-methylpyrimidin-4-yl)aniline?
The InChIKey is KRYTXMHYWPPFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-3-13-15-9(2)7-12(16-13)10-5-4-6-11(14)8-10/h4-8H,3,14H2,1-2H3.
What are the key properties of 3-(2-ethyl-6-methylpyrimidin-4-yl)aniline?
3-(2-ethyl-6-methylpyrimidin-4-yl)aniline has a molecular weight of 213.28 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-6-methylpyrimidin-4-yl)aniline is sourced from PubChem (CID 105466933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).