2-[(2-chlorophenyl)methoxy]-4-(4-methylphenyl)-6-phenylpyrimidine

C24H19ClN2O — CID 2218349

IUPAC2-[(2-chlorophenyl)methoxy]-4-(4-methylphenyl)-6-phenylpyrimidine
SMILESCc1ccc(-c2cc(-c3ccccc3)nc(OCc3ccccc3Cl)n2)cc1
InChIInChI=1S/C24H19ClN2O/c1-17-11-13-19(14-12-17)23-15-22(18-7-3-2-4-8-18)26-24(27-23)28-16-20-9-5-6-10-21(20)25/h2-15H,16H2,1H3
InChIKeyQPPGATFVWDNRAP-UHFFFAOYSA-N
MW386.88 g/mol
LogP6.35
Rot. Bonds5

About 2-[(2-chlorophenyl)methoxy]-4-(4-methylphenyl)-6-phenylpyrimidine

2-[(2-chlorophenyl)methoxy]-4-(4-methylphenyl)-6-phenylpyrimidine (PubChem CID 2218349) has the molecular formula C24H19ClN2O and a molecular weight of 386.88 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methoxy]-4-(4-methylphenyl)-6-phenylpyrimidine.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methoxy]-4-(4-methylphenyl)-6-phenylpyrimidine
PubChem CID2218349
Molecular FormulaC24H19ClN2O
Molecular Weight386.88 g/mol
Exact Mass386.12
IUPAC Name2-[(2-chlorophenyl)methoxy]-4-(4-methylphenyl)-6-phenylpyrimidine
SMILESCc1ccc(-c2cc(-c3ccccc3)nc(OCc3ccccc3Cl)n2)cc1
InChIInChI=1S/C24H19ClN2O/c1-17-11-13-19(14-12-17)23-15-22(18-7-3-2-4-8-18)26-24(27-23)28-16-20-9-5-6-10-21(20)25/h2-15H,16H2,1H3
InChIKeyQPPGATFVWDNRAP-UHFFFAOYSA-N
XLogP6.35
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.88
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methoxy]-4-(4-methylphenyl)-6-phenylpyrimidine?
The IUPAC name of 2-[(2-chlorophenyl)methoxy]-4-(4-methylphenyl)-6-phenylpyrimidine (CID 2218349) is 2-[(2-chlorophenyl)methoxy]-4-(4-methylphenyl)-6-phenylpyrimidine.
What is the SMILES notation for 2-[(2-chlorophenyl)methoxy]-4-(4-methylphenyl)-6-phenylpyrimidine?
The canonical SMILES for 2-[(2-chlorophenyl)methoxy]-4-(4-methylphenyl)-6-phenylpyrimidine is Cc1ccc(-c2cc(-c3ccccc3)nc(OCc3ccccc3Cl)n2)cc1.
What is the InChIKey of 2-[(2-chlorophenyl)methoxy]-4-(4-methylphenyl)-6-phenylpyrimidine?
The InChIKey is QPPGATFVWDNRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O/c1-17-11-13-19(14-12-17)23-15-22(18-7-3-2-4-8-18)26-24(27-23)28-16-20-9-5-6-10-21(20)25/h2-15H,16H2,1H3.
What are the key properties of 2-[(2-chlorophenyl)methoxy]-4-(4-methylphenyl)-6-phenylpyrimidine?
2-[(2-chlorophenyl)methoxy]-4-(4-methylphenyl)-6-phenylpyrimidine has a molecular weight of 386.88 g/mol, XLogP of 6.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methoxy]-4-(4-methylphenyl)-6-phenylpyrimidine is sourced from PubChem (CID 2218349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).