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

C12H10Cl2N2O — CID 79072753

IUPAC2-chloro-4-(5-chloro-2-methoxyphenyl)-5-methylpyrimidine
SMILESCOc1ccc(Cl)cc1-c1nc(Cl)ncc1C
InChIInChI=1S/C12H10Cl2N2O/c1-7-6-15-12(14)16-11(7)9-5-8(13)3-4-10(9)17-2/h3-6H,1-2H3
InChIKeyPDTFQXQKBIVFNG-UHFFFAOYSA-N
MW269.13 g/mol
LogP3.77
Rot. Bonds2

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

2-chloro-4-(5-chloro-2-methoxyphenyl)-5-methylpyrimidine (PubChem CID 79072753) has the molecular formula C12H10Cl2N2O and a molecular weight of 269.13 g/mol. Its IUPAC name is 2-chloro-4-(5-chloro-2-methoxyphenyl)-5-methylpyrimidine.

Molecular Properties

Compound Name2-chloro-4-(5-chloro-2-methoxyphenyl)-5-methylpyrimidine
PubChem CID79072753
Molecular FormulaC12H10Cl2N2O
Molecular Weight269.13 g/mol
Exact Mass268.02
IUPAC Name2-chloro-4-(5-chloro-2-methoxyphenyl)-5-methylpyrimidine
SMILESCOc1ccc(Cl)cc1-c1nc(Cl)ncc1C
InChIInChI=1S/C12H10Cl2N2O/c1-7-6-15-12(14)16-11(7)9-5-8(13)3-4-10(9)17-2/h3-6H,1-2H3
InChIKeyPDTFQXQKBIVFNG-UHFFFAOYSA-N
XLogP3.77
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.13
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-(5-chloro-2-methoxyphenyl)-5-methylpyrimidin-2-amine
CID 86004326
2-chloro-5-fluoro-4-(3-fluoro-4-methoxyphenyl)pyrimidine
CID 79079653
6-(5-chloro-2-methoxyphenyl)-1,3,7-trimethylpyrido[3,2-d]pyrimidine-2,4-dione
CID 56926145
[3-(5-chloro-2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanol
CID 11747157
5-chloro-1-(5-chloro-2-methoxyphenyl)-2,3-dimethoxybenzene
CID 143319889
2,5-dichloro-N-(5-chloro-2-methoxyphenyl)pyrimidin-4-amine
CID 79632991
4-(5-chloro-2-methoxyphenyl)-2-methoxypyrimidine
CID 116903740
2-chloro-4-(3,4-difluoro-2-methoxyphenyl)-5-fluoropyrimidine
CID 135283311
2-(5-chloro-2-methoxyphenyl)-5-methylaniline
CID 82767066
2-chloro-4-methoxy-5-methylpyrimidine
CID 11051933
2-(5-chloro-2-methoxyphenyl)-7-methyl-1,3-benzoxazol-5-amine
CID 91673887
2-bromo-4-(5-chloro-2-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 66847284

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(5-chloro-2-methoxyphenyl)-5-methylpyrimidine?
The IUPAC name of 2-chloro-4-(5-chloro-2-methoxyphenyl)-5-methylpyrimidine (CID 79072753) is 2-chloro-4-(5-chloro-2-methoxyphenyl)-5-methylpyrimidine.
What is the SMILES notation for 2-chloro-4-(5-chloro-2-methoxyphenyl)-5-methylpyrimidine?
The canonical SMILES for 2-chloro-4-(5-chloro-2-methoxyphenyl)-5-methylpyrimidine is COc1ccc(Cl)cc1-c1nc(Cl)ncc1C.
What is the InChIKey of 2-chloro-4-(5-chloro-2-methoxyphenyl)-5-methylpyrimidine?
The InChIKey is PDTFQXQKBIVFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O/c1-7-6-15-12(14)16-11(7)9-5-8(13)3-4-10(9)17-2/h3-6H,1-2H3.
What are the key properties of 2-chloro-4-(5-chloro-2-methoxyphenyl)-5-methylpyrimidine?
2-chloro-4-(5-chloro-2-methoxyphenyl)-5-methylpyrimidine has a molecular weight of 269.13 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(5-chloro-2-methoxyphenyl)-5-methylpyrimidine is sourced from PubChem (CID 79072753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).