4-(5-chloro-2-methoxyphenyl)-2-methoxypyrimidine

C12H11ClN2O2 — CID 116903740

IUPAC4-(5-chloro-2-methoxyphenyl)-2-methoxypyrimidine
SMILESCOc1nccc(-c2cc(Cl)ccc2OC)n1
InChIInChI=1S/C12H11ClN2O2/c1-16-11-4-3-8(13)7-9(11)10-5-6-14-12(15-10)17-2/h3-7H,1-2H3
InChIKeyXLRQXMZAXMPLAJ-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.81
Rot. Bonds3

About 4-(5-chloro-2-methoxyphenyl)-2-methoxypyrimidine

4-(5-chloro-2-methoxyphenyl)-2-methoxypyrimidine (PubChem CID 116903740) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is 4-(5-chloro-2-methoxyphenyl)-2-methoxypyrimidine.

Molecular Properties

Compound Name4-(5-chloro-2-methoxyphenyl)-2-methoxypyrimidine
PubChem CID116903740
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Name4-(5-chloro-2-methoxyphenyl)-2-methoxypyrimidine
SMILESCOc1nccc(-c2cc(Cl)ccc2OC)n1
InChIInChI=1S/C12H11ClN2O2/c1-16-11-4-3-8(13)7-9(11)10-5-6-14-12(15-10)17-2/h3-7H,1-2H3
InChIKeyXLRQXMZAXMPLAJ-UHFFFAOYSA-N
XLogP2.81
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-(2,5-dimethoxyphenyl)pyrimidine
CID 24902001
2-[6-(5-chloro-2-methoxyphenyl)-2-methyl-3-pyridinyl]propan-2-ol
CID 82453379
6-(5-chloro-2-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine
CID 90189267
[3-(5-chloro-2-methoxyphenyl)-1,2-thiazol-5-yl]methanamine
CID 82482117
4-chloro-6-(5-chloro-2-methoxyphenyl)-2-propan-2-ylpyrimidine
CID 80952660
3-(5-chloro-2-methoxyphenyl)-1H-pyridazin-6-one
CID 106514741
2-[4-(5-chloro-2-methoxyphenyl)-1,3-thiazol-2-yl]acetaldehyde
CID 116968816
4-(5-chloro-2-methoxyphenyl)-6-(trifluoromethyl)-1H-pyrimidine-2-thione
CID 106514710
4-(5-chloro-2-methoxyphenyl)-2-(methoxymethyl)-1,3-thiazole
CID 116969940
2-chloro-4-(5-chloro-2-methoxyphenyl)-5-methylpyrimidine
CID 79072753
4-chloro-6-(5-chloro-2-methoxyphenyl)-5-methylpyrimidin-2-amine
CID 86004326
4-(2,4-dimethoxy-6-methylphenyl)-2-methoxypyrimidine
CID 116903822

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methoxyphenyl)-2-methoxypyrimidine?
The IUPAC name of 4-(5-chloro-2-methoxyphenyl)-2-methoxypyrimidine (CID 116903740) is 4-(5-chloro-2-methoxyphenyl)-2-methoxypyrimidine.
What is the SMILES notation for 4-(5-chloro-2-methoxyphenyl)-2-methoxypyrimidine?
The canonical SMILES for 4-(5-chloro-2-methoxyphenyl)-2-methoxypyrimidine is COc1nccc(-c2cc(Cl)ccc2OC)n1.
What is the InChIKey of 4-(5-chloro-2-methoxyphenyl)-2-methoxypyrimidine?
The InChIKey is XLRQXMZAXMPLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c1-16-11-4-3-8(13)7-9(11)10-5-6-14-12(15-10)17-2/h3-7H,1-2H3.
What are the key properties of 4-(5-chloro-2-methoxyphenyl)-2-methoxypyrimidine?
4-(5-chloro-2-methoxyphenyl)-2-methoxypyrimidine has a molecular weight of 250.69 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methoxyphenyl)-2-methoxypyrimidine is sourced from PubChem (CID 116903740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).