2-(3-chlorophenyl)-6-ethylpyrimidin-4-amine

C12H12ClN3 — CID 62192624

IUPAC2-(3-chlorophenyl)-6-ethylpyrimidin-4-amine
SMILESCCc1cc(N)nc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C12H12ClN3/c1-2-10-7-11(14)16-12(15-10)8-4-3-5-9(13)6-8/h3-7H,2H2,1H3,(H2,14,15,16)
InChIKeyIJYQNAYPBLWWRA-UHFFFAOYSA-N
MW233.70 g/mol
LogP2.94
Rot. Bonds2

About 2-(3-chlorophenyl)-6-ethylpyrimidin-4-amine

2-(3-chlorophenyl)-6-ethylpyrimidin-4-amine (PubChem CID 62192624) has the molecular formula C12H12ClN3 and a molecular weight of 233.70 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-6-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-6-ethylpyrimidin-4-amine
PubChem CID62192624
Molecular FormulaC12H12ClN3
Molecular Weight233.70 g/mol
Exact Mass233.07
IUPAC Name2-(3-chlorophenyl)-6-ethylpyrimidin-4-amine
SMILESCCc1cc(N)nc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C12H12ClN3/c1-2-10-7-11(14)16-12(15-10)8-4-3-5-9(13)6-8/h3-7H,2H2,1H3,(H2,14,15,16)
InChIKeyIJYQNAYPBLWWRA-UHFFFAOYSA-N
XLogP2.94
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 62319129
2-(3-chlorophenyl)-6-propan-2-ylpyrimidin-4-amine
CID 62191035
2-(3-ethoxyphenyl)-6-ethylpyrimidin-4-amine
CID 62192979
6-ethyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 62192267
2-(2,4-dichlorophenyl)-6-ethylpyrimidin-4-amine
CID 62203520
3-(4,6-diethylpyrimidin-2-yl)aniline
CID 55205096
6-ethyl-2-(4-ethylphenyl)pyrimidin-4-amine
CID 62190498
3-(3-chlorophenyl)-5-ethyl-1H-1,2,4-triazole
CID 46398001
6-ethyl-2-(3-fluoro-4-methoxyphenyl)pyrimidin-4-amine
CID 65096029
2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]amino]phenyl]-2-methylpropanamide
CID 90113055
2-[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]oxy-1-(4-fluorophenyl)ethanone
CID 95922537
2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]-N-(2-hydroxyethyl)acetamide
CID 90112663

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-6-ethylpyrimidin-4-amine?
The IUPAC name of 2-(3-chlorophenyl)-6-ethylpyrimidin-4-amine (CID 62192624) is 2-(3-chlorophenyl)-6-ethylpyrimidin-4-amine.
What is the SMILES notation for 2-(3-chlorophenyl)-6-ethylpyrimidin-4-amine?
The canonical SMILES for 2-(3-chlorophenyl)-6-ethylpyrimidin-4-amine is CCc1cc(N)nc(-c2cccc(Cl)c2)n1.
What is the InChIKey of 2-(3-chlorophenyl)-6-ethylpyrimidin-4-amine?
The InChIKey is IJYQNAYPBLWWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3/c1-2-10-7-11(14)16-12(15-10)8-4-3-5-9(13)6-8/h3-7H,2H2,1H3,(H2,14,15,16).
What are the key properties of 2-(3-chlorophenyl)-6-ethylpyrimidin-4-amine?
2-(3-chlorophenyl)-6-ethylpyrimidin-4-amine has a molecular weight of 233.70 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-6-ethylpyrimidin-4-amine is sourced from PubChem (CID 62192624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).