1-benzyl-3-[4-(4-methylphenyl)-6-phenylpyrimidin-2-yl]urea

C25H22N4O — CID 177386987

IUPAC1-benzyl-3-[4-(4-methylphenyl)-6-phenylpyrimidin-2-yl]urea
SMILESCc1ccc(-c2cc(-c3ccccc3)nc(NC(=O)NCc3ccccc3)n2)cc1
InChIInChI=1S/C25H22N4O/c1-18-12-14-21(15-13-18)23-16-22(20-10-6-3-7-11-20)27-24(28-23)29-25(30)26-17-19-8-4-2-5-9-19/h2-16H,17H2,1H3,(H2,26,27,28,29,30)
InChIKeyYLISZGKPRBITIT-UHFFFAOYSA-N
MW394.48 g/mol
LogP5.44
Rot. Bonds5

About 1-benzyl-3-[4-(4-methylphenyl)-6-phenylpyrimidin-2-yl]urea

1-benzyl-3-[4-(4-methylphenyl)-6-phenylpyrimidin-2-yl]urea (PubChem CID 177386987) has the molecular formula C25H22N4O and a molecular weight of 394.48 g/mol. Its IUPAC name is 1-benzyl-3-[4-(4-methylphenyl)-6-phenylpyrimidin-2-yl]urea.

Molecular Properties

Compound Name1-benzyl-3-[4-(4-methylphenyl)-6-phenylpyrimidin-2-yl]urea
PubChem CID177386987
Molecular FormulaC25H22N4O
Molecular Weight394.48 g/mol
Exact Mass394.18
IUPAC Name1-benzyl-3-[4-(4-methylphenyl)-6-phenylpyrimidin-2-yl]urea
SMILESCc1ccc(-c2cc(-c3ccccc3)nc(NC(=O)NCc3ccccc3)n2)cc1
InChIInChI=1S/C25H22N4O/c1-18-12-14-21(15-13-18)23-16-22(20-10-6-3-7-11-20)27-24(28-23)29-25(30)26-17-19-8-4-2-5-9-19/h2-16H,17H2,1H3,(H2,26,27,28,29,30)
InChIKeyYLISZGKPRBITIT-UHFFFAOYSA-N
XLogP5.44
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.48
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)urea
CID 107653962
N-(4,6-diphenylpyrimidin-2-yl)propanamide
CID 11278089
2-(2,4-dimethylanilino)-N-[4-(4-methylphenyl)-6-phenylpyrimidin-2-yl]acetamide
CID 46269896
1-(4-methylphenyl)-3-[[3-(4-methylphenyl)phenyl]methyl]urea
CID 146076602
N-benzyl-4-methyl-6-phenylpyrimidin-2-amine
CID 13126867
N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]-2-phenylquinoline-4-carboxamide
CID 17320376
N-[(4-methylphenyl)methyl]-2-(2-phenylquinolin-4-yl)oxyacetamide
CID 46298662
N-[4-(4-methoxyphenyl)-6-(4-methylphenyl)pyrimidin-2-yl]benzamide
CID 20896233
1-benzyl-3-(6-methyl-1,3-benzothiazol-2-yl)urea
CID 42733059
N-benzyl-8-methyl-2-phenylquinoline-4-carboxamide
CID 3639002
1-benzyl-3-[4-(thiadiazol-4-yl)phenyl]urea
CID 60577464
2-(4-acetamidophenyl)-N-benzylquinoline-4-carboxamide
CID 50816051

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[4-(4-methylphenyl)-6-phenylpyrimidin-2-yl]urea?
The IUPAC name of 1-benzyl-3-[4-(4-methylphenyl)-6-phenylpyrimidin-2-yl]urea (CID 177386987) is 1-benzyl-3-[4-(4-methylphenyl)-6-phenylpyrimidin-2-yl]urea.
What is the SMILES notation for 1-benzyl-3-[4-(4-methylphenyl)-6-phenylpyrimidin-2-yl]urea?
The canonical SMILES for 1-benzyl-3-[4-(4-methylphenyl)-6-phenylpyrimidin-2-yl]urea is Cc1ccc(-c2cc(-c3ccccc3)nc(NC(=O)NCc3ccccc3)n2)cc1.
What is the InChIKey of 1-benzyl-3-[4-(4-methylphenyl)-6-phenylpyrimidin-2-yl]urea?
The InChIKey is YLISZGKPRBITIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O/c1-18-12-14-21(15-13-18)23-16-22(20-10-6-3-7-11-20)27-24(28-23)29-25(30)26-17-19-8-4-2-5-9-19/h2-16H,17H2,1H3,(H2,26,27,28,29,30).
What are the key properties of 1-benzyl-3-[4-(4-methylphenyl)-6-phenylpyrimidin-2-yl]urea?
1-benzyl-3-[4-(4-methylphenyl)-6-phenylpyrimidin-2-yl]urea has a molecular weight of 394.48 g/mol, XLogP of 5.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[4-(4-methylphenyl)-6-phenylpyrimidin-2-yl]urea is sourced from PubChem (CID 177386987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).