2-(3-chloro-4-ethoxyphenyl)-4-(2,4-dimethoxyphenyl)pyrimidine

C20H19ClN2O3 — CID 175424050

IUPAC2-(3-chloro-4-ethoxyphenyl)-4-(2,4-dimethoxyphenyl)pyrimidine
SMILESCCOc1ccc(-c2nccc(-c3ccc(OC)cc3OC)n2)cc1Cl
InChIInChI=1S/C20H19ClN2O3/c1-4-26-18-8-5-13(11-16(18)21)20-22-10-9-17(23-20)15-7-6-14(24-2)12-19(15)25-3/h5-12H,4H2,1-3H3
InChIKeyPTAALVWWAHEGFY-UHFFFAOYSA-N
MW370.84 g/mol
LogP4.88
Rot. Bonds6

About 2-(3-chloro-4-ethoxyphenyl)-4-(2,4-dimethoxyphenyl)pyrimidine

2-(3-chloro-4-ethoxyphenyl)-4-(2,4-dimethoxyphenyl)pyrimidine (PubChem CID 175424050) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is 2-(3-chloro-4-ethoxyphenyl)-4-(2,4-dimethoxyphenyl)pyrimidine.

Molecular Properties

Compound Name2-(3-chloro-4-ethoxyphenyl)-4-(2,4-dimethoxyphenyl)pyrimidine
PubChem CID175424050
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC Name2-(3-chloro-4-ethoxyphenyl)-4-(2,4-dimethoxyphenyl)pyrimidine
SMILESCCOc1ccc(-c2nccc(-c3ccc(OC)cc3OC)n2)cc1Cl
InChIInChI=1S/C20H19ClN2O3/c1-4-26-18-8-5-13(11-16(18)21)20-22-10-9-17(23-20)15-7-6-14(24-2)12-19(15)25-3/h5-12H,4H2,1-3H3
InChIKeyPTAALVWWAHEGFY-UHFFFAOYSA-N
XLogP4.88
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,4-dimethoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)pyrimidine
CID 175424034
4-(2,4-dimethoxyphenyl)pyrimidin-2-amine
CID 39733899
2-(3-chloro-4-methoxyphenyl)-N-ethylpyrimidin-4-amine
CID 65022574
2-chloro-4-(2,5-dimethoxyphenyl)pyrimidine
CID 24902001
2-chloro-4-(3-chloro-4-ethoxyphenyl)pyridine
CID 164891716
1-[4-(2,4-dimethoxyphenyl)pyrimidin-2-yl]ethanone
CID 116901463
2-chloro-1-methoxy-4-(4-methoxyphenyl)benzene
CID 58270167
4-(2,4-dimethoxyphenyl)pyrimidine-2-carboxamide
CID 116904018
4-chloro-2-(2,5-dimethoxyphenyl)pyrimidine
CID 43654737
4-(3-chloro-4-methoxyphenyl)pyrimidin-2-amine
CID 82291455
4-chloro-2-(2,5-dimethoxyphenyl)-6-ethoxypyrimidine
CID 82169554
4-(2,4-dimethoxyphenyl)-3-ethoxyphenol
CID 54469913

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-ethoxyphenyl)-4-(2,4-dimethoxyphenyl)pyrimidine?
The IUPAC name of 2-(3-chloro-4-ethoxyphenyl)-4-(2,4-dimethoxyphenyl)pyrimidine (CID 175424050) is 2-(3-chloro-4-ethoxyphenyl)-4-(2,4-dimethoxyphenyl)pyrimidine.
What is the SMILES notation for 2-(3-chloro-4-ethoxyphenyl)-4-(2,4-dimethoxyphenyl)pyrimidine?
The canonical SMILES for 2-(3-chloro-4-ethoxyphenyl)-4-(2,4-dimethoxyphenyl)pyrimidine is CCOc1ccc(-c2nccc(-c3ccc(OC)cc3OC)n2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-ethoxyphenyl)-4-(2,4-dimethoxyphenyl)pyrimidine?
The InChIKey is PTAALVWWAHEGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c1-4-26-18-8-5-13(11-16(18)21)20-22-10-9-17(23-20)15-7-6-14(24-2)12-19(15)25-3/h5-12H,4H2,1-3H3.
What are the key properties of 2-(3-chloro-4-ethoxyphenyl)-4-(2,4-dimethoxyphenyl)pyrimidine?
2-(3-chloro-4-ethoxyphenyl)-4-(2,4-dimethoxyphenyl)pyrimidine has a molecular weight of 370.84 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-ethoxyphenyl)-4-(2,4-dimethoxyphenyl)pyrimidine is sourced from PubChem (CID 175424050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).