4-chloro-2-(2,5-dimethoxyphenyl)-6-ethoxypyrimidine

C14H15ClN2O3 — CID 82169554

IUPAC4-chloro-2-(2,5-dimethoxyphenyl)-6-ethoxypyrimidine
SMILESCCOc1cc(Cl)nc(-c2cc(OC)ccc2OC)n1
InChIInChI=1S/C14H15ClN2O3/c1-4-20-13-8-12(15)16-14(17-13)10-7-9(18-2)5-6-11(10)19-3/h5-8H,4H2,1-3H3
InChIKeyOXCGZAVGOQRIMH-UHFFFAOYSA-N
MW294.74 g/mol
LogP3.21
Rot. Bonds5

About 4-chloro-2-(2,5-dimethoxyphenyl)-6-ethoxypyrimidine

4-chloro-2-(2,5-dimethoxyphenyl)-6-ethoxypyrimidine (PubChem CID 82169554) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is 4-chloro-2-(2,5-dimethoxyphenyl)-6-ethoxypyrimidine.

Molecular Properties

Compound Name4-chloro-2-(2,5-dimethoxyphenyl)-6-ethoxypyrimidine
PubChem CID82169554
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC Name4-chloro-2-(2,5-dimethoxyphenyl)-6-ethoxypyrimidine
SMILESCCOc1cc(Cl)nc(-c2cc(OC)ccc2OC)n1
InChIInChI=1S/C14H15ClN2O3/c1-4-20-13-8-12(15)16-14(17-13)10-7-9(18-2)5-6-11(10)19-3/h5-8H,4H2,1-3H3
InChIKeyOXCGZAVGOQRIMH-UHFFFAOYSA-N
XLogP3.21
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-(2,5-dimethoxyphenyl)pyrimidine
CID 43654737
4-chloro-2-[(3,4-dimethoxyphenyl)methyl]-6-ethoxypyrimidine
CID 82169576
4-chloro-2-(2,4-dimethoxyphenyl)-6-propylpyrimidine
CID 43557702
2-(2,5-dimethoxyphenyl)pyrimidin-4-amine
CID 62204234
5-bromo-4-chloro-2-(2,5-dimethoxyphenyl)-6-methylpyrimidine
CID 66313783
4-chloro-6-ethoxy-2-[(2-methoxyphenoxy)methyl]pyrimidine
CID 82169602
ethyl 3-(2,5-dimethoxyphenyl)-1H-1,2,4-triazole-5-carboxylate
CID 63381738
2-chloro-4-(2,5-dimethoxyphenyl)pyrimidine
CID 24902001
5-bromo-4-chloro-2-(2,5-dimethoxyphenyl)-6-propan-2-ylpyrimidine
CID 66313822
1-[3-(2,5-dimethoxyphenyl)phenyl]propan-1-one
CID 61033997
5-bromo-2-(2,5-dimethoxyphenyl)-N-ethyl-6-methylpyrimidin-4-amine
CID 66302187
4-chloro-6-methoxy-2-(3-methoxyphenyl)pyrimidine
CID 82169427

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,5-dimethoxyphenyl)-6-ethoxypyrimidine?
The IUPAC name of 4-chloro-2-(2,5-dimethoxyphenyl)-6-ethoxypyrimidine (CID 82169554) is 4-chloro-2-(2,5-dimethoxyphenyl)-6-ethoxypyrimidine.
What is the SMILES notation for 4-chloro-2-(2,5-dimethoxyphenyl)-6-ethoxypyrimidine?
The canonical SMILES for 4-chloro-2-(2,5-dimethoxyphenyl)-6-ethoxypyrimidine is CCOc1cc(Cl)nc(-c2cc(OC)ccc2OC)n1.
What is the InChIKey of 4-chloro-2-(2,5-dimethoxyphenyl)-6-ethoxypyrimidine?
The InChIKey is OXCGZAVGOQRIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c1-4-20-13-8-12(15)16-14(17-13)10-7-9(18-2)5-6-11(10)19-3/h5-8H,4H2,1-3H3.
What are the key properties of 4-chloro-2-(2,5-dimethoxyphenyl)-6-ethoxypyrimidine?
4-chloro-2-(2,5-dimethoxyphenyl)-6-ethoxypyrimidine has a molecular weight of 294.74 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,5-dimethoxyphenyl)-6-ethoxypyrimidine is sourced from PubChem (CID 82169554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).