4-chloro-2-[(3,4-dimethoxyphenyl)methyl]-6-ethoxypyrimidine

C15H17ClN2O3 — CID 82169576

IUPAC4-chloro-2-[(3,4-dimethoxyphenyl)methyl]-6-ethoxypyrimidine
SMILESCCOc1cc(Cl)nc(Cc2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C15H17ClN2O3/c1-4-21-15-9-13(16)17-14(18-15)8-10-5-6-11(19-2)12(7-10)20-3/h5-7,9H,4,8H2,1-3H3
InChIKeyCXXPTRHSUAHQEY-UHFFFAOYSA-N
MW308.77 g/mol
LogP3.14
Rot. Bonds6

About 4-chloro-2-[(3,4-dimethoxyphenyl)methyl]-6-ethoxypyrimidine

4-chloro-2-[(3,4-dimethoxyphenyl)methyl]-6-ethoxypyrimidine (PubChem CID 82169576) has the molecular formula C15H17ClN2O3 and a molecular weight of 308.77 g/mol. Its IUPAC name is 4-chloro-2-[(3,4-dimethoxyphenyl)methyl]-6-ethoxypyrimidine.

Molecular Properties

Compound Name4-chloro-2-[(3,4-dimethoxyphenyl)methyl]-6-ethoxypyrimidine
PubChem CID82169576
Molecular FormulaC15H17ClN2O3
Molecular Weight308.77 g/mol
Exact Mass308.09
IUPAC Name4-chloro-2-[(3,4-dimethoxyphenyl)methyl]-6-ethoxypyrimidine
SMILESCCOc1cc(Cl)nc(Cc2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C15H17ClN2O3/c1-4-21-15-9-13(16)17-14(18-15)8-10-5-6-11(19-2)12(7-10)20-3/h5-7,9H,4,8H2,1-3H3
InChIKeyCXXPTRHSUAHQEY-UHFFFAOYSA-N
XLogP3.14
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-chloro-2-[(3,4-dimethoxyphenyl)methyl]-6-ethoxypyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-2-[(3,4-dimethoxyphenyl)methyl]pyrimidine
CID 60864984
4-chloro-6-ethoxy-2-[(3-methylphenyl)methyl]pyrimidine
CID 82169566
4-chloro-2-[(3,4-dimethoxyphenyl)methyl]-5-iodopyrimidine
CID 66292248
4-chloro-6-(4-ethyl-2-methoxyphenoxy)-2-(methoxymethyl)pyrimidine
CID 107664612
4-chloro-2-[(3,4-dimethoxyphenyl)methyl]-5,6-dimethylpyrimidine
CID 60995827
5-chloro-3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-thiadiazole
CID 46318449
[4-(6-chloro-2-propylpyrimidin-4-yl)oxy-3-methoxyphenyl]methanol
CID 107742985
4-chloro-2-[(3,4-dimethoxyphenyl)methyl]pyrimidine;2-[(3,4-dimethoxyphenyl)methyl]-1H-pyrimidin-6-one
CID 160925645
4-chloro-2-(2,5-dimethoxyphenyl)-6-ethoxypyrimidine
CID 82169554
4-chloro-2-[(4-methoxy-3-nitrophenyl)methyl]-6-methylpyrimidine chloride
CID 53351995
ethyl 3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxylate
CID 63357944
2-[(3,4-dimethoxyphenyl)methyl]-5-ethyl-6-methylpyrimidin-4-amine
CID 62192255

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(3,4-dimethoxyphenyl)methyl]-6-ethoxypyrimidine?
The IUPAC name of 4-chloro-2-[(3,4-dimethoxyphenyl)methyl]-6-ethoxypyrimidine (CID 82169576) is 4-chloro-2-[(3,4-dimethoxyphenyl)methyl]-6-ethoxypyrimidine.
What is the SMILES notation for 4-chloro-2-[(3,4-dimethoxyphenyl)methyl]-6-ethoxypyrimidine?
The canonical SMILES for 4-chloro-2-[(3,4-dimethoxyphenyl)methyl]-6-ethoxypyrimidine is CCOc1cc(Cl)nc(Cc2ccc(OC)c(OC)c2)n1.
What is the InChIKey of 4-chloro-2-[(3,4-dimethoxyphenyl)methyl]-6-ethoxypyrimidine?
The InChIKey is CXXPTRHSUAHQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O3/c1-4-21-15-9-13(16)17-14(18-15)8-10-5-6-11(19-2)12(7-10)20-3/h5-7,9H,4,8H2,1-3H3.
What are the key properties of 4-chloro-2-[(3,4-dimethoxyphenyl)methyl]-6-ethoxypyrimidine?
4-chloro-2-[(3,4-dimethoxyphenyl)methyl]-6-ethoxypyrimidine has a molecular weight of 308.77 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(3,4-dimethoxyphenyl)methyl]-6-ethoxypyrimidine is sourced from PubChem (CID 82169576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).