4-chloro-2-(3-ethoxyphenyl)-6-ethyl-5-methylpyrimidine

C15H17ClN2O — CID 55247750

IUPAC4-chloro-2-(3-ethoxyphenyl)-6-ethyl-5-methylpyrimidine
SMILESCCOc1cccc(-c2nc(Cl)c(C)c(CC)n2)c1
InChIInChI=1S/C15H17ClN2O/c1-4-13-10(3)14(16)18-15(17-13)11-7-6-8-12(9-11)19-5-2/h6-9H,4-5H2,1-3H3
InChIKeyILKRUTFRMTWYCR-UHFFFAOYSA-N
MW276.77 g/mol
LogP4.07
Rot. Bonds4

About 4-chloro-2-(3-ethoxyphenyl)-6-ethyl-5-methylpyrimidine

4-chloro-2-(3-ethoxyphenyl)-6-ethyl-5-methylpyrimidine (PubChem CID 55247750) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 4-chloro-2-(3-ethoxyphenyl)-6-ethyl-5-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(3-ethoxyphenyl)-6-ethyl-5-methylpyrimidine
PubChem CID55247750
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name4-chloro-2-(3-ethoxyphenyl)-6-ethyl-5-methylpyrimidine
SMILESCCOc1cccc(-c2nc(Cl)c(C)c(CC)n2)c1
InChIInChI=1S/C15H17ClN2O/c1-4-13-10(3)14(16)18-15(17-13)11-7-6-8-12(9-11)19-5-2/h6-9H,4-5H2,1-3H3
InChIKeyILKRUTFRMTWYCR-UHFFFAOYSA-N
XLogP4.07
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-ethyl-5-methyl-2-(3-nitrophenyl)pyrimidine
CID 63548439
4-chloro-2-(3-ethoxyphenyl)-6-methylpyrimidine
CID 43557478
4-chloro-2-(3-ethoxyphenyl)-5,6,7,8-tetrahydroquinazoline
CID 61382229
4-chloro-2-(3-ethoxyphenyl)-5-iodo-6-propan-2-ylpyrimidine
CID 66292609
5-bromo-4-tert-butyl-6-chloro-2-(3-ethoxyphenyl)pyrimidine
CID 66293166
5-chloro-3-(3-ethoxyphenyl)-1,2,4-oxadiazole
CID 60984808
2-(3-ethoxyphenyl)-N,6-diethyl-5-iodopyrimidin-4-amine
CID 66299098
4-chloro-2-(3,5-dimethylphenyl)-6-ethyl-5-methylpyrimidine
CID 63549645
[2-(3-ethoxyphenyl)-4,6-dimethylpyrimidin-5-yl]methanamine
CID 62746307
2-(3-ethoxyphenyl)-6-ethylpyrimidin-4-amine
CID 62192979
4-chloro-6-ethyl-5-methyl-2-(3-methyl-2-pyridinyl)pyrimidine
CID 63549133
2-(2-bromophenyl)-4-chloro-6-ethyl-5-methylpyrimidine
CID 63549132

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-ethoxyphenyl)-6-ethyl-5-methylpyrimidine?
The IUPAC name of 4-chloro-2-(3-ethoxyphenyl)-6-ethyl-5-methylpyrimidine (CID 55247750) is 4-chloro-2-(3-ethoxyphenyl)-6-ethyl-5-methylpyrimidine.
What is the SMILES notation for 4-chloro-2-(3-ethoxyphenyl)-6-ethyl-5-methylpyrimidine?
The canonical SMILES for 4-chloro-2-(3-ethoxyphenyl)-6-ethyl-5-methylpyrimidine is CCOc1cccc(-c2nc(Cl)c(C)c(CC)n2)c1.
What is the InChIKey of 4-chloro-2-(3-ethoxyphenyl)-6-ethyl-5-methylpyrimidine?
The InChIKey is ILKRUTFRMTWYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-4-13-10(3)14(16)18-15(17-13)11-7-6-8-12(9-11)19-5-2/h6-9H,4-5H2,1-3H3.
What are the key properties of 4-chloro-2-(3-ethoxyphenyl)-6-ethyl-5-methylpyrimidine?
4-chloro-2-(3-ethoxyphenyl)-6-ethyl-5-methylpyrimidine has a molecular weight of 276.77 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-ethoxyphenyl)-6-ethyl-5-methylpyrimidine is sourced from PubChem (CID 55247750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).