2-chloro-5-(4-ethylphenyl)pyrimidine

C12H11ClN2 — CID 82114110

IUPAC2-chloro-5-(4-ethylphenyl)pyrimidine
SMILESCCc1ccc(-c2cnc(Cl)nc2)cc1
InChIInChI=1S/C12H11ClN2/c1-2-9-3-5-10(6-4-9)11-7-14-12(13)15-8-11/h3-8H,2H2,1H3
InChIKeyJJQMGEILNPEYFZ-UHFFFAOYSA-N
MW218.69 g/mol
LogP3.36
Rot. Bonds2

About 2-chloro-5-(4-ethylphenyl)pyrimidine

2-chloro-5-(4-ethylphenyl)pyrimidine (PubChem CID 82114110) has the molecular formula C12H11ClN2 and a molecular weight of 218.69 g/mol. Its IUPAC name is 2-chloro-5-(4-ethylphenyl)pyrimidine.

Molecular Properties

Compound Name2-chloro-5-(4-ethylphenyl)pyrimidine
PubChem CID82114110
Molecular FormulaC12H11ClN2
Molecular Weight218.69 g/mol
Exact Mass218.06
IUPAC Name2-chloro-5-(4-ethylphenyl)pyrimidine
SMILESCCc1ccc(-c2cnc(Cl)nc2)cc1
InChIInChI=1S/C12H11ClN2/c1-2-9-3-5-10(6-4-9)11-7-14-12(13)15-8-11/h3-8H,2H2,1H3
InChIKeyJJQMGEILNPEYFZ-UHFFFAOYSA-N
XLogP3.36
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.69
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-5-ethylpyrimidine
CID 3572763
2-bromo-5-(4-ethylphenyl)pyrimidine
CID 88928784
2,5-bis(4-ethylphenyl)pyridine
CID 101383412
4-(2-chloropyrimidin-5-yl)phenol
CID 102475277
ethane;5-(4-ethylphenyl)-2-methylpyridine
CID 143418091
5-(4-ethylphenyl)-N-methylpyridin-2-amine
CID 143417999
5-[4-(4-ethylphenyl)phenyl]-2-propylpyridine
CID 19859804
1,4-bis[(4-ethylphenyl)methyl]benzene;ethane;1-ethyl-4-[[4-[4-[(4-ethylphenyl)methyl]phenyl]phenyl]methyl]benzene
CID 163605506
[5-(4-ethylphenyl)pyrimidin-2-yl]-methylcyanamide
CID 116977813
4,6-dichloro-N-[4-(4-ethylphenyl)phenyl]-1,3,5-triazin-2-amine
CID 135338335
1,3-dichloro-2-ethyl-5-(4-ethylphenyl)benzene
CID 137427176
2,4-dichloro-6-[4-(4-ethylphenyl)pyrazol-1-yl]-1,3,5-triazine
CID 89049574

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(4-ethylphenyl)pyrimidine?
The IUPAC name of 2-chloro-5-(4-ethylphenyl)pyrimidine (CID 82114110) is 2-chloro-5-(4-ethylphenyl)pyrimidine.
What is the SMILES notation for 2-chloro-5-(4-ethylphenyl)pyrimidine?
The canonical SMILES for 2-chloro-5-(4-ethylphenyl)pyrimidine is CCc1ccc(-c2cnc(Cl)nc2)cc1.
What is the InChIKey of 2-chloro-5-(4-ethylphenyl)pyrimidine?
The InChIKey is JJQMGEILNPEYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2/c1-2-9-3-5-10(6-4-9)11-7-14-12(13)15-8-11/h3-8H,2H2,1H3.
What are the key properties of 2-chloro-5-(4-ethylphenyl)pyrimidine?
2-chloro-5-(4-ethylphenyl)pyrimidine has a molecular weight of 218.69 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4-ethylphenyl)pyrimidine is sourced from PubChem (CID 82114110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).