3-(4,6-diethylpyrimidin-2-yl)aniline

C14H17N3 — CID 55205096

IUPAC3-(4,6-diethylpyrimidin-2-yl)aniline
SMILESCCc1cc(CC)nc(-c2cccc(N)c2)n1
InChIInChI=1S/C14H17N3/c1-3-12-9-13(4-2)17-14(16-12)10-6-5-7-11(15)8-10/h5-9H,3-4,15H2,1-2H3
InChIKeyLAEHFOAIOMUKPR-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.85
Rot. Bonds3

About 3-(4,6-diethylpyrimidin-2-yl)aniline

3-(4,6-diethylpyrimidin-2-yl)aniline (PubChem CID 55205096) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-(4,6-diethylpyrimidin-2-yl)aniline.

Molecular Properties

Compound Name3-(4,6-diethylpyrimidin-2-yl)aniline
PubChem CID55205096
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name3-(4,6-diethylpyrimidin-2-yl)aniline
SMILESCCc1cc(CC)nc(-c2cccc(N)c2)n1
InChIInChI=1S/C14H17N3/c1-3-12-9-13(4-2)17-14(16-12)10-6-5-7-11(15)8-10/h5-9H,3-4,15H2,1-2H3
InChIKeyLAEHFOAIOMUKPR-UHFFFAOYSA-N
XLogP2.85
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.85
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-(3-chlorophenyl)-6-ethylpyrimidin-4-amine
CID 62192624
3-(4-cyclopropyl-6-propylpyrimidin-2-yl)aniline
CID 63319330
2-(3-ethoxyphenyl)-6-ethylpyrimidin-4-amine
CID 62192979
6-ethyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 62192267
3-(5-ethyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)aniline
CID 143409028
3-(4-methyl-6-propan-2-ylpyrimidin-2-yl)aniline
CID 55205286
3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 43525251
3-(2-ethyl-6-methylpyrimidin-4-yl)aniline
CID 105466933
(6-ethyl-2-phenylpyrimidin-4-yl)hydrazine
CID 62252566
3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)aniline
CID 170034814
3-[4-[3-(methylamino)phenyl]-6-phenyl-1,3,5-triazin-2-yl]aniline
CID 143239836
3-[4,6-bis[3-(methylamino)phenyl]pyrimidin-2-yl]aniline
CID 143239907

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-diethylpyrimidin-2-yl)aniline?
The IUPAC name of 3-(4,6-diethylpyrimidin-2-yl)aniline (CID 55205096) is 3-(4,6-diethylpyrimidin-2-yl)aniline.
What is the SMILES notation for 3-(4,6-diethylpyrimidin-2-yl)aniline?
The canonical SMILES for 3-(4,6-diethylpyrimidin-2-yl)aniline is CCc1cc(CC)nc(-c2cccc(N)c2)n1.
What is the InChIKey of 3-(4,6-diethylpyrimidin-2-yl)aniline?
The InChIKey is LAEHFOAIOMUKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-3-12-9-13(4-2)17-14(16-12)10-6-5-7-11(15)8-10/h5-9H,3-4,15H2,1-2H3.
What are the key properties of 3-(4,6-diethylpyrimidin-2-yl)aniline?
3-(4,6-diethylpyrimidin-2-yl)aniline has a molecular weight of 227.31 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-diethylpyrimidin-2-yl)aniline is sourced from PubChem (CID 55205096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).