2-chloro-4-[(3-chlorophenyl)methoxy]-6-methylpyrimidine

C12H10Cl2N2O — CID 65124564

IUPAC2-chloro-4-[(3-chlorophenyl)methoxy]-6-methylpyrimidine
SMILESCc1cc(OCc2cccc(Cl)c2)nc(Cl)n1
InChIInChI=1S/C12H10Cl2N2O/c1-8-5-11(16-12(14)15-8)17-7-9-3-2-4-10(13)6-9/h2-6H,7H2,1H3
InChIKeyPZEQGEYFRNKQRN-UHFFFAOYSA-N
MW269.13 g/mol
LogP3.67
Rot. Bonds3

About 2-chloro-4-[(3-chlorophenyl)methoxy]-6-methylpyrimidine

2-chloro-4-[(3-chlorophenyl)methoxy]-6-methylpyrimidine (PubChem CID 65124564) has the molecular formula C12H10Cl2N2O and a molecular weight of 269.13 g/mol. Its IUPAC name is 2-chloro-4-[(3-chlorophenyl)methoxy]-6-methylpyrimidine.

Molecular Properties

Compound Name2-chloro-4-[(3-chlorophenyl)methoxy]-6-methylpyrimidine
PubChem CID65124564
Molecular FormulaC12H10Cl2N2O
Molecular Weight269.13 g/mol
Exact Mass268.02
IUPAC Name2-chloro-4-[(3-chlorophenyl)methoxy]-6-methylpyrimidine
SMILESCc1cc(OCc2cccc(Cl)c2)nc(Cl)n1
InChIInChI=1S/C12H10Cl2N2O/c1-8-5-11(16-12(14)15-8)17-7-9-3-2-4-10(13)6-9/h2-6H,7H2,1H3
InChIKeyPZEQGEYFRNKQRN-UHFFFAOYSA-N
XLogP3.67
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.13
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(3-chlorophenyl)methoxy]-2-ethylpyrimidin-4-amine
CID 80942588
2-(3-chlorophenyl)-4-[(3-methoxyphenyl)methoxy]-6-methylpyrimidine
CID 95922512
6-[(3-chlorophenyl)methoxy]-2-propan-2-ylpyrimidin-4-amine
CID 80963380
5-chloro-2-[(3-chlorophenyl)methoxy]pyridine
CID 66232556
6-[(3-chlorophenyl)methoxy]-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridine
CID 50793866
2-(4-chlorophenyl)-4-[(3-methoxyphenyl)methoxy]-6-methylpyrimidine
CID 95923139
4-[(3-chlorophenyl)methoxy]-2,6-dimethylpyridine-3-carbonitrile
CID 80979840
1-chloro-3-[(4-methoxyphenoxy)methyl]benzene
CID 112788879
N-[[3-[(3-chlorophenyl)methoxy]-6-methyl-2-pyridinyl]methyl]ethanamine
CID 79151507
2-[(3-chlorophenyl)methoxy]-1,3-dimethoxy-5-methylbenzene
CID 59303411
1-[3-chloro-6-[(3-chlorophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine
CID 65125729
5-bromo-2-chloro-4-[(3-chlorophenyl)methoxy]pyrimidine
CID 79075950

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(3-chlorophenyl)methoxy]-6-methylpyrimidine?
The IUPAC name of 2-chloro-4-[(3-chlorophenyl)methoxy]-6-methylpyrimidine (CID 65124564) is 2-chloro-4-[(3-chlorophenyl)methoxy]-6-methylpyrimidine.
What is the SMILES notation for 2-chloro-4-[(3-chlorophenyl)methoxy]-6-methylpyrimidine?
The canonical SMILES for 2-chloro-4-[(3-chlorophenyl)methoxy]-6-methylpyrimidine is Cc1cc(OCc2cccc(Cl)c2)nc(Cl)n1.
What is the InChIKey of 2-chloro-4-[(3-chlorophenyl)methoxy]-6-methylpyrimidine?
The InChIKey is PZEQGEYFRNKQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O/c1-8-5-11(16-12(14)15-8)17-7-9-3-2-4-10(13)6-9/h2-6H,7H2,1H3.
What are the key properties of 2-chloro-4-[(3-chlorophenyl)methoxy]-6-methylpyrimidine?
2-chloro-4-[(3-chlorophenyl)methoxy]-6-methylpyrimidine has a molecular weight of 269.13 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(3-chlorophenyl)methoxy]-6-methylpyrimidine is sourced from PubChem (CID 65124564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).