4-(3-chlorophenyl)-2-ethylpyrimidin-5-amine

C12H12ClN3 — CID 82374863

IUPAC4-(3-chlorophenyl)-2-ethylpyrimidin-5-amine
SMILESCCc1ncc(N)c(-c2cccc(Cl)c2)n1
InChIInChI=1S/C12H12ClN3/c1-2-11-15-7-10(14)12(16-11)8-4-3-5-9(13)6-8/h3-7H,2,14H2,1H3
InChIKeyJHFTXTFSEZWNQO-UHFFFAOYSA-N
MW233.70 g/mol
LogP2.94
Rot. Bonds2

About 4-(3-chlorophenyl)-2-ethylpyrimidin-5-amine

4-(3-chlorophenyl)-2-ethylpyrimidin-5-amine (PubChem CID 82374863) has the molecular formula C12H12ClN3 and a molecular weight of 233.70 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-2-ethylpyrimidin-5-amine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-2-ethylpyrimidin-5-amine
PubChem CID82374863
Molecular FormulaC12H12ClN3
Molecular Weight233.70 g/mol
Exact Mass233.07
IUPAC Name4-(3-chlorophenyl)-2-ethylpyrimidin-5-amine
SMILESCCc1ncc(N)c(-c2cccc(Cl)c2)n1
InChIInChI=1S/C12H12ClN3/c1-2-11-15-7-10(14)12(16-11)8-4-3-5-9(13)6-8/h3-7H,2,14H2,1H3
InChIKeyJHFTXTFSEZWNQO-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

N'-[4-(3-chlorophenyl)-2-ethylpyrimidin-5-yl]propane-1,3-diamine
CID 117211767
4-(3-chlorophenyl)-2-ethylimidazole-1,5-diamine
CID 62483208
5-(3-chlorophenyl)-2-ethyl-3-methylimidazol-4-amine
CID 62226374
5-(3-chlorophenyl)-2-ethyl-3-propan-2-ylimidazol-4-amine
CID 55048633
3-tert-butyl-5-(3-chlorophenyl)-2-ethylimidazol-4-amine
CID 62220448
ethane;2-ethyl-4-methylpyrimidin-5-amine
CID 142845626
2-(3-chlorophenyl)-6-ethylpyrimidin-4-amine
CID 62192624
5-(3-chlorophenyl)-3-ethyl-2-phenylimidazol-4-amine
CID 63468761
7-chloro-2-ethylquinazoline
CID 167510442
5-(3-chlorophenyl)-3-methylimidazol-4-amine
CID 53275817
3-(3-chlorophenyl)-5-methyl-1H-pyrazol-4-amine
CID 46167948
4-(3-chlorophenyl)pyridin-3-amine
CID 82396448

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-2-ethylpyrimidin-5-amine?
The IUPAC name of 4-(3-chlorophenyl)-2-ethylpyrimidin-5-amine (CID 82374863) is 4-(3-chlorophenyl)-2-ethylpyrimidin-5-amine.
What is the SMILES notation for 4-(3-chlorophenyl)-2-ethylpyrimidin-5-amine?
The canonical SMILES for 4-(3-chlorophenyl)-2-ethylpyrimidin-5-amine is CCc1ncc(N)c(-c2cccc(Cl)c2)n1.
What is the InChIKey of 4-(3-chlorophenyl)-2-ethylpyrimidin-5-amine?
The InChIKey is JHFTXTFSEZWNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3/c1-2-11-15-7-10(14)12(16-11)8-4-3-5-9(13)6-8/h3-7H,2,14H2,1H3.
What are the key properties of 4-(3-chlorophenyl)-2-ethylpyrimidin-5-amine?
4-(3-chlorophenyl)-2-ethylpyrimidin-5-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 4-(3-chlorophenyl)-2-ethylpyrimidin-5-amine is sourced from PubChem (CID 82374863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).