4-chloro-6-[(4-chlorophenyl)methoxy]-5-methylpyrimidine

C12H10Cl2N2O — CID 65126013

IUPAC4-chloro-6-[(4-chlorophenyl)methoxy]-5-methylpyrimidine
SMILESCc1c(Cl)ncnc1OCc1ccc(Cl)cc1
InChIInChI=1S/C12H10Cl2N2O/c1-8-11(14)15-7-16-12(8)17-6-9-2-4-10(13)5-3-9/h2-5,7H,6H2,1H3
InChIKeyZQRSHEKYLRXCSK-UHFFFAOYSA-N
MW269.13 g/mol
LogP3.67
Rot. Bonds3

About 4-chloro-6-[(4-chlorophenyl)methoxy]-5-methylpyrimidine

4-chloro-6-[(4-chlorophenyl)methoxy]-5-methylpyrimidine (PubChem CID 65126013) has the molecular formula C12H10Cl2N2O and a molecular weight of 269.13 g/mol. Its IUPAC name is 4-chloro-6-[(4-chlorophenyl)methoxy]-5-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-[(4-chlorophenyl)methoxy]-5-methylpyrimidine
PubChem CID65126013
Molecular FormulaC12H10Cl2N2O
Molecular Weight269.13 g/mol
Exact Mass268.02
IUPAC Name4-chloro-6-[(4-chlorophenyl)methoxy]-5-methylpyrimidine
SMILESCc1c(Cl)ncnc1OCc1ccc(Cl)cc1
InChIInChI=1S/C12H10Cl2N2O/c1-8-11(14)15-7-16-12(8)17-6-9-2-4-10(13)5-3-9/h2-5,7H,6H2,1H3
InChIKeyZQRSHEKYLRXCSK-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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[(4-chlorophenyl)methoxy]-5-methylpyrimidine?
The IUPAC name of 4-chloro-6-[(4-chlorophenyl)methoxy]-5-methylpyrimidine (CID 65126013) is 4-chloro-6-[(4-chlorophenyl)methoxy]-5-methylpyrimidine.
What is the SMILES notation for 4-chloro-6-[(4-chlorophenyl)methoxy]-5-methylpyrimidine?
The canonical SMILES for 4-chloro-6-[(4-chlorophenyl)methoxy]-5-methylpyrimidine is Cc1c(Cl)ncnc1OCc1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-6-[(4-chlorophenyl)methoxy]-5-methylpyrimidine?
The InChIKey is ZQRSHEKYLRXCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O/c1-8-11(14)15-7-16-12(8)17-6-9-2-4-10(13)5-3-9/h2-5,7H,6H2,1H3.
What are the key properties of 4-chloro-6-[(4-chlorophenyl)methoxy]-5-methylpyrimidine?
4-chloro-6-[(4-chlorophenyl)methoxy]-5-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 4-chloro-6-[(4-chlorophenyl)methoxy]-5-methylpyrimidine is sourced from PubChem (CID 65126013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).