2-[6-(4-chlorophenyl)-2-(4-methylphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol

C23H21ClN2O — CID 4660351

IUPAC2-[6-(4-chlorophenyl)-2-(4-methylphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol
SMILESCc1ccc(C2NC(c3ccc(Cl)cc3)=CC(c3ccccc3O)N2)cc1
InChIInChI=1S/C23H21ClN2O/c1-15-6-8-17(9-7-15)23-25-20(16-10-12-18(24)13-11-16)14-21(26-23)19-4-2-3-5-22(19)27/h2-14,21,23,25-27H,1H3
InChIKeyCMXMYHZEZOLGLP-UHFFFAOYSA-N
MW376.89 g/mol
LogP5.33
Rot. Bonds3

About 2-[6-(4-chlorophenyl)-2-(4-methylphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol

2-[6-(4-chlorophenyl)-2-(4-methylphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol (PubChem CID 4660351) has the molecular formula C23H21ClN2O and a molecular weight of 376.89 g/mol. Its IUPAC name is 2-[6-(4-chlorophenyl)-2-(4-methylphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol.

Molecular Properties

Compound Name2-[6-(4-chlorophenyl)-2-(4-methylphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol
PubChem CID4660351
Molecular FormulaC23H21ClN2O
Molecular Weight376.89 g/mol
Exact Mass376.13
IUPAC Name2-[6-(4-chlorophenyl)-2-(4-methylphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol
SMILESCc1ccc(C2NC(c3ccc(Cl)cc3)=CC(c3ccccc3O)N2)cc1
InChIInChI=1S/C23H21ClN2O/c1-15-6-8-17(9-7-15)23-25-20(16-10-12-18(24)13-11-16)14-21(26-23)19-4-2-3-5-22(19)27/h2-14,21,23,25-27H,1H3
InChIKeyCMXMYHZEZOLGLP-UHFFFAOYSA-N
XLogP5.33
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.89
LogP ≤ 55.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[6-(4-ethoxyphenyl)-2-(4-methylphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol
CID 4170313
2-[6-(3-bromophenyl)-2-(4-chlorophenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol
CID 3687532
methyl 4-[6-(4-bromophenyl)-4-(2-hydroxyphenyl)-1,2,3,4-tetrahydropyrimidin-2-yl]benzoate
CID 4660687
2-[6-(4-ethylphenyl)-2-(2-methylphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol
CID 4606852
4-chloro-2-[2-(3-chlorophenyl)-6-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol
CID 3554639
2-[6-(4-chlorophenyl)-2-(3-fluorophenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]-6-ethoxyphenol
CID 3435694
methyl 4-[6-(3-bromophenyl)-4-(5-chloro-2-hydroxyphenyl)-1,2,3,4-tetrahydropyrimidin-2-yl]benzoate
CID 3253215
4-bromo-2-[2-(4-bromophenyl)-6-(4-ethoxyphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol
CID 4522362
4-chloro-2-[2-(2-chloro-6-fluorophenyl)-6-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol
CID 4606932
2-[6-(3-bromophenyl)-2-(2,4-dichlorophenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]-4-chlorophenol
CID 5199823
2-ethoxy-6-[6-(4-ethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidin-4-yl]phenol
CID 5073453
2-[2-(2-chlorophenyl)-6-(4-ethylphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]-6-ethoxyphenol
CID 3643481

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-chlorophenyl)-2-(4-methylphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol?
The IUPAC name of 2-[6-(4-chlorophenyl)-2-(4-methylphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol (CID 4660351) is 2-[6-(4-chlorophenyl)-2-(4-methylphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol.
What is the SMILES notation for 2-[6-(4-chlorophenyl)-2-(4-methylphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol?
The canonical SMILES for 2-[6-(4-chlorophenyl)-2-(4-methylphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol is Cc1ccc(C2NC(c3ccc(Cl)cc3)=CC(c3ccccc3O)N2)cc1.
What is the InChIKey of 2-[6-(4-chlorophenyl)-2-(4-methylphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol?
The InChIKey is CMXMYHZEZOLGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O/c1-15-6-8-17(9-7-15)23-25-20(16-10-12-18(24)13-11-16)14-21(26-23)19-4-2-3-5-22(19)27/h2-14,21,23,25-27H,1H3.
What are the key properties of 2-[6-(4-chlorophenyl)-2-(4-methylphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol?
2-[6-(4-chlorophenyl)-2-(4-methylphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol has a molecular weight of 376.89 g/mol, XLogP of 5.33, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-chlorophenyl)-2-(4-methylphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol is sourced from PubChem (CID 4660351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).