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

C13H13ClN2O — CID 43557478

IUPAC4-chloro-2-(3-ethoxyphenyl)-6-methylpyrimidine
SMILESCCOc1cccc(-c2nc(C)cc(Cl)n2)c1
InChIInChI=1S/C13H13ClN2O/c1-3-17-11-6-4-5-10(8-11)13-15-9(2)7-12(14)16-13/h4-8H,3H2,1-2H3
InChIKeyPZAZTSNTVZSRHS-UHFFFAOYSA-N
MW248.71 g/mol
LogP3.50
Rot. Bonds3

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

4-chloro-2-(3-ethoxyphenyl)-6-methylpyrimidine (PubChem CID 43557478) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is 4-chloro-2-(3-ethoxyphenyl)-6-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(3-ethoxyphenyl)-6-methylpyrimidine
PubChem CID43557478
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name4-chloro-2-(3-ethoxyphenyl)-6-methylpyrimidine
SMILESCCOc1cccc(-c2nc(C)cc(Cl)n2)c1
InChIInChI=1S/C13H13ClN2O/c1-3-17-11-6-4-5-10(8-11)13-15-9(2)7-12(14)16-13/h4-8H,3H2,1-2H3
InChIKeyPZAZTSNTVZSRHS-UHFFFAOYSA-N
XLogP3.50
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-(3-ethoxyphenyl)-6-ethyl-5-methylpyrimidine
CID 55247750
5-chloro-3-(3-ethoxyphenyl)-1,2,4-oxadiazole
CID 60984808
4-(chloromethyl)-2-(3-methoxyphenyl)-6-methylpyrimidine
CID 55114193
[2-(3-ethoxyphenyl)-4,6-dimethylpyrimidin-5-yl]methanamine
CID 62746307
2-(3-bromophenyl)-4-chloro-6-methylpyrimidine
CID 43557486
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
2-chloro-5-(3-ethoxyphenyl)pyrazine
CID 56721049
2-(3-ethoxyphenyl)-6-ethylpyrimidin-4-amine
CID 62192979
N,6-dimethyl-2-(3-propoxyphenyl)pyrimidin-4-amine
CID 62499474
4-chloro-6-methoxy-2-(3-methoxyphenyl)pyrimidine
CID 82169427

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-ethoxyphenyl)-6-methylpyrimidine?
The IUPAC name of 4-chloro-2-(3-ethoxyphenyl)-6-methylpyrimidine (CID 43557478) is 4-chloro-2-(3-ethoxyphenyl)-6-methylpyrimidine.
What is the SMILES notation for 4-chloro-2-(3-ethoxyphenyl)-6-methylpyrimidine?
The canonical SMILES for 4-chloro-2-(3-ethoxyphenyl)-6-methylpyrimidine is CCOc1cccc(-c2nc(C)cc(Cl)n2)c1.
What is the InChIKey of 4-chloro-2-(3-ethoxyphenyl)-6-methylpyrimidine?
The InChIKey is PZAZTSNTVZSRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c1-3-17-11-6-4-5-10(8-11)13-15-9(2)7-12(14)16-13/h4-8H,3H2,1-2H3.
What are the key properties of 4-chloro-2-(3-ethoxyphenyl)-6-methylpyrimidine?
4-chloro-2-(3-ethoxyphenyl)-6-methylpyrimidine has a molecular weight of 248.71 g/mol, XLogP of 3.50, 3 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-methylpyrimidine is sourced from PubChem (CID 43557478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).