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

C25H26N2O — CID 4606852

IUPAC2-[6-(4-ethylphenyl)-2-(2-methylphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol
SMILESCCc1ccc(C2=CC(c3ccccc3O)NC(c3ccccc3C)N2)cc1
InChIInChI=1S/C25H26N2O/c1-3-18-12-14-19(15-13-18)22-16-23(21-10-6-7-11-24(21)28)27-25(26-22)20-9-5-4-8-17(20)2/h4-16,23,25-28H,3H2,1-2H3
InChIKeyJVVKYLABQBPVEZ-UHFFFAOYSA-N
MW370.50 g/mol
LogP5.24
Rot. Bonds4

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

2-[6-(4-ethylphenyl)-2-(2-methylphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol (PubChem CID 4606852) has the molecular formula C25H26N2O and a molecular weight of 370.50 g/mol. Its IUPAC name is 2-[6-(4-ethylphenyl)-2-(2-methylphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol.

Molecular Properties

Compound Name2-[6-(4-ethylphenyl)-2-(2-methylphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol
PubChem CID4606852
Molecular FormulaC25H26N2O
Molecular Weight370.50 g/mol
Exact Mass370.20
IUPAC Name2-[6-(4-ethylphenyl)-2-(2-methylphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol
SMILESCCc1ccc(C2=CC(c3ccccc3O)NC(c3ccccc3C)N2)cc1
InChIInChI=1S/C25H26N2O/c1-3-18-12-14-19(15-13-18)22-16-23(21-10-6-7-11-24(21)28)27-25(26-22)20-9-5-4-8-17(20)2/h4-16,23,25-28H,3H2,1-2H3
InChIKeyJVVKYLABQBPVEZ-UHFFFAOYSA-N
XLogP5.24
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.50
LogP ≤ 55.24
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-[2-(2-chlorophenyl)-6-(4-ethylphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]-6-ethoxyphenol
CID 3643481
2-[6-(4-chlorophenyl)-2-(4-methylphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol
CID 4660351
methyl 4-[6-(4-bromophenyl)-4-(2-hydroxyphenyl)-1,2,3,4-tetrahydropyrimidin-2-yl]benzoate
CID 4660687
2-ethoxy-6-[6-(4-ethylphenyl)-2-(3-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol
CID 5187175
2-[2-(3-bromo-4-fluorophenyl)-6-(4-ethylphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]-6-ethoxyphenol
CID 4230358
4-bromo-2-[6-(4-ethylphenyl)-2-propan-2-yl-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol
CID 3653392
4-bromo-2-[6-(4-ethylphenyl)-2-(2-fluorophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol
CID 5239873
2-[6-(3-bromophenyl)-2-(4-chlorophenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol
CID 3687532
4-bromo-2-[2-(4-bromophenyl)-6-(4-ethoxyphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol
CID 4522362
(4R)-2-(4-ethylphenyl)-4-(2-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole
CID 136667879
2-[6-(4-chlorophenyl)-2-(3-fluorophenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]-6-ethoxyphenol
CID 3435694

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-ethylphenyl)-2-(2-methylphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol?
The IUPAC name of 2-[6-(4-ethylphenyl)-2-(2-methylphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol (CID 4606852) is 2-[6-(4-ethylphenyl)-2-(2-methylphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol.
What is the SMILES notation for 2-[6-(4-ethylphenyl)-2-(2-methylphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol?
The canonical SMILES for 2-[6-(4-ethylphenyl)-2-(2-methylphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol is CCc1ccc(C2=CC(c3ccccc3O)NC(c3ccccc3C)N2)cc1.
What is the InChIKey of 2-[6-(4-ethylphenyl)-2-(2-methylphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol?
The InChIKey is JVVKYLABQBPVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O/c1-3-18-12-14-19(15-13-18)22-16-23(21-10-6-7-11-24(21)28)27-25(26-22)20-9-5-4-8-17(20)2/h4-16,23,25-28H,3H2,1-2H3.
What are the key properties of 2-[6-(4-ethylphenyl)-2-(2-methylphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol?
2-[6-(4-ethylphenyl)-2-(2-methylphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol has a molecular weight of 370.50 g/mol, XLogP of 5.24, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-ethylphenyl)-2-(2-methylphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol is sourced from PubChem (CID 4606852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).