4-chloro-6-(3-ethylphenyl)-2-phenylpyrimidine

C18H15ClN2 — CID 115915027

IUPAC4-chloro-6-(3-ethylphenyl)-2-phenylpyrimidine
SMILESCCc1cccc(-c2cc(Cl)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C18H15ClN2/c1-2-13-7-6-10-15(11-13)16-12-17(19)21-18(20-16)14-8-4-3-5-9-14/h3-12H,2H2,1H3
InChIKeyPJJUGGBZVAFBBR-UHFFFAOYSA-N
MW294.79 g/mol
LogP5.03
Rot. Bonds3

About 4-chloro-6-(3-ethylphenyl)-2-phenylpyrimidine

4-chloro-6-(3-ethylphenyl)-2-phenylpyrimidine (PubChem CID 115915027) has the molecular formula C18H15ClN2 and a molecular weight of 294.79 g/mol. Its IUPAC name is 4-chloro-6-(3-ethylphenyl)-2-phenylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3-ethylphenyl)-2-phenylpyrimidine
PubChem CID115915027
Molecular FormulaC18H15ClN2
Molecular Weight294.79 g/mol
Exact Mass294.09
IUPAC Name4-chloro-6-(3-ethylphenyl)-2-phenylpyrimidine
SMILESCCc1cccc(-c2cc(Cl)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C18H15ClN2/c1-2-13-7-6-10-15(11-13)16-12-17(19)21-18(20-16)14-8-4-3-5-9-14/h3-12H,2H2,1H3
InChIKeyPJJUGGBZVAFBBR-UHFFFAOYSA-N
XLogP5.03
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.79
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 158883215
4-chloro-6-(3,4-dichlorophenyl)-2-phenylpyrimidine
CID 115914999
4-chloro-6-(3,5-diphenylphenyl)-2-phenylpyrimidine
CID 118641046
4-chloro-2-(4-chlorophenyl)-6-phenylpyrimidine
CID 582047
2,9-bis(3-ethylphenyl)-4,7-diphenyl-1,10-phenanthroline
CID 23405080
2-(3-ethylphenyl)-4-methylsulfonyl-6-phenylpyridine
CID 15022626
CID 87791784
CID 87791784
6-chloro-N-ethyl-N-methyl-2-phenylpyrimidin-4-amine
CID 112559630
2-(6-benzyl-2-pyridinyl)-4-chloro-6-phenylpyrimidine
CID 23188712
1-ethyl-3-phenylbenzene;propane
CID 145466525
4-chloro-2-(3-chlorophenyl)-6-(4-phenylphenyl)pyrimidine
CID 171832705
4-chloro-6-phenyl-2-(2-phenylethyl)pyrimidine
CID 61385533

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3-ethylphenyl)-2-phenylpyrimidine?
The IUPAC name of 4-chloro-6-(3-ethylphenyl)-2-phenylpyrimidine (CID 115915027) is 4-chloro-6-(3-ethylphenyl)-2-phenylpyrimidine.
What is the SMILES notation for 4-chloro-6-(3-ethylphenyl)-2-phenylpyrimidine?
The canonical SMILES for 4-chloro-6-(3-ethylphenyl)-2-phenylpyrimidine is CCc1cccc(-c2cc(Cl)nc(-c3ccccc3)n2)c1.
What is the InChIKey of 4-chloro-6-(3-ethylphenyl)-2-phenylpyrimidine?
The InChIKey is PJJUGGBZVAFBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2/c1-2-13-7-6-10-15(11-13)16-12-17(19)21-18(20-16)14-8-4-3-5-9-14/h3-12H,2H2,1H3.
What are the key properties of 4-chloro-6-(3-ethylphenyl)-2-phenylpyrimidine?
4-chloro-6-(3-ethylphenyl)-2-phenylpyrimidine has a molecular weight of 294.79 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3-ethylphenyl)-2-phenylpyrimidine is sourced from PubChem (CID 115915027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).