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

C12H10Cl2N2O — CID 170925653

IUPAC2-chloro-5-(2-chloro-4-methoxyphenyl)-4-methylpyrimidine
SMILESCOc1ccc(-c2cnc(Cl)nc2C)c(Cl)c1
InChIInChI=1S/C12H10Cl2N2O/c1-7-10(6-15-12(14)16-7)9-4-3-8(17-2)5-11(9)13/h3-6H,1-2H3
InChIKeyULKOVNIKGAOGBL-UHFFFAOYSA-N
MW269.13 g/mol
LogP3.77
Rot. Bonds2

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

2-chloro-5-(2-chloro-4-methoxyphenyl)-4-methylpyrimidine (PubChem CID 170925653) has the molecular formula C12H10Cl2N2O and a molecular weight of 269.13 g/mol. Its IUPAC name is 2-chloro-5-(2-chloro-4-methoxyphenyl)-4-methylpyrimidine.

Molecular Properties

Compound Name2-chloro-5-(2-chloro-4-methoxyphenyl)-4-methylpyrimidine
PubChem CID170925653
Molecular FormulaC12H10Cl2N2O
Molecular Weight269.13 g/mol
Exact Mass268.02
IUPAC Name2-chloro-5-(2-chloro-4-methoxyphenyl)-4-methylpyrimidine
SMILESCOc1ccc(-c2cnc(Cl)nc2C)c(Cl)c1
InChIInChI=1S/C12H10Cl2N2O/c1-7-10(6-15-12(14)16-7)9-4-3-8(17-2)5-11(9)13/h3-6H,1-2H3
InChIKeyULKOVNIKGAOGBL-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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2-chloro-4-methoxyphenyl)-4-methylpyrimidine?
The IUPAC name of 2-chloro-5-(2-chloro-4-methoxyphenyl)-4-methylpyrimidine (CID 170925653) is 2-chloro-5-(2-chloro-4-methoxyphenyl)-4-methylpyrimidine.
What is the SMILES notation for 2-chloro-5-(2-chloro-4-methoxyphenyl)-4-methylpyrimidine?
The canonical SMILES for 2-chloro-5-(2-chloro-4-methoxyphenyl)-4-methylpyrimidine is COc1ccc(-c2cnc(Cl)nc2C)c(Cl)c1.
What is the InChIKey of 2-chloro-5-(2-chloro-4-methoxyphenyl)-4-methylpyrimidine?
The InChIKey is ULKOVNIKGAOGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O/c1-7-10(6-15-12(14)16-7)9-4-3-8(17-2)5-11(9)13/h3-6H,1-2H3.
What are the key properties of 2-chloro-5-(2-chloro-4-methoxyphenyl)-4-methylpyrimidine?
2-chloro-5-(2-chloro-4-methoxyphenyl)-4-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-5-(2-chloro-4-methoxyphenyl)-4-methylpyrimidine is sourced from PubChem (CID 170925653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).