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

C13H15N3 — CID 105466937

IUPAC2-(2-ethyl-6-methylpyrimidin-4-yl)aniline
SMILESCCc1nc(C)cc(-c2ccccc2N)n1
InChIInChI=1S/C13H15N3/c1-3-13-15-9(2)8-12(16-13)10-6-4-5-7-11(10)14/h4-8H,3,14H2,1-2H3
InChIKeyMIBOORDVOONZEH-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.60
Rot. Bonds2

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

2-(2-ethyl-6-methylpyrimidin-4-yl)aniline (PubChem CID 105466937) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-(2-ethyl-6-methylpyrimidin-4-yl)aniline.

Molecular Properties

Compound Name2-(2-ethyl-6-methylpyrimidin-4-yl)aniline
PubChem CID105466937
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name2-(2-ethyl-6-methylpyrimidin-4-yl)aniline
SMILESCCc1nc(C)cc(-c2ccccc2N)n1
InChIInChI=1S/C13H15N3/c1-3-13-15-9(2)8-12(16-13)10-6-4-5-7-11(10)14/h4-8H,3,14H2,1-2H3
InChIKeyMIBOORDVOONZEH-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

3-(2-ethyl-6-methylpyrimidin-4-yl)aniline
CID 105466933
2-ethyl-4,6-dimethylpyrimidine
CID 23533396
2-(6-methylpyrimidin-4-yl)aniline
CID 82278535
2-(2-ethyl-6-methylpyrimidin-4-yl)sulfanylpyridin-3-amine
CID 114276568
2-[4-(2-fluorophenyl)-6-methylpyrimidin-2-yl]acetonitrile
CID 116895064
N,2-diethyl-6-(2-methylphenyl)pyrimidin-4-amine
CID 80935861
(2-ethyl-6-methylpyrimidin-4-yl)methanamine
CID 62743734
4-chloro-6-(2,3-dichlorophenyl)-2-ethylpyrimidine
CID 80936131
3-methyl-3-[4-methyl-6-(2-methylphenyl)pyrimidin-2-yl]butan-1-amine
CID 116893087
2,4-diethyl-6-methylpyrimidine
CID 45080276
2-(2-methyl-1,3-oxazol-4-yl)aniline
CID 22493369
2-chloro-4-(2-chlorophenyl)-6-methylpyrimidine
CID 79073157

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-6-methylpyrimidin-4-yl)aniline?
The IUPAC name of 2-(2-ethyl-6-methylpyrimidin-4-yl)aniline (CID 105466937) is 2-(2-ethyl-6-methylpyrimidin-4-yl)aniline.
What is the SMILES notation for 2-(2-ethyl-6-methylpyrimidin-4-yl)aniline?
The canonical SMILES for 2-(2-ethyl-6-methylpyrimidin-4-yl)aniline is CCc1nc(C)cc(-c2ccccc2N)n1.
What is the InChIKey of 2-(2-ethyl-6-methylpyrimidin-4-yl)aniline?
The InChIKey is MIBOORDVOONZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-3-13-15-9(2)8-12(16-13)10-6-4-5-7-11(10)14/h4-8H,3,14H2,1-2H3.
What are the key properties of 2-(2-ethyl-6-methylpyrimidin-4-yl)aniline?
2-(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 2-(2-ethyl-6-methylpyrimidin-4-yl)aniline is sourced from PubChem (CID 105466937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).