1-(4-tert-butylphenyl)-3-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)urea

C23H26N4O2 — CID 122303902

IUPAC1-(4-tert-butylphenyl)-3-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)urea
SMILESCc1nc(Oc2ccccc2)nc(C)c1NC(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H26N4O2/c1-15-20(16(2)25-22(24-15)29-19-9-7-6-8-10-19)27-21(28)26-18-13-11-17(12-14-18)23(3,4)5/h6-14H,1-5H3,(H2,26,27,28)
InChIKeyDANUJLMRXZKTMI-UHFFFAOYSA-N
MW390.49 g/mol
LogP5.83
Rot. Bonds4

About 1-(4-tert-butylphenyl)-3-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)urea

1-(4-tert-butylphenyl)-3-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)urea (PubChem CID 122303902) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-3-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)urea.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-3-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)urea
PubChem CID122303902
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name1-(4-tert-butylphenyl)-3-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)urea
SMILESCc1nc(Oc2ccccc2)nc(C)c1NC(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H26N4O2/c1-15-20(16(2)25-22(24-15)29-19-9-7-6-8-10-19)27-21(28)26-18-13-11-17(12-14-18)23(3,4)5/h6-14H,1-5H3,(H2,26,27,28)
InChIKeyDANUJLMRXZKTMI-UHFFFAOYSA-N
XLogP5.83
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.49
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3-(3-methylphenyl)urea
CID 122303627
1-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3-(3,4,5-trimethoxyphenyl)urea
CID 122303901
N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-4-(trifluoromethyl)benzamide
CID 91969154
1-(4-tert-butylphenyl)-3-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]urea
CID 122356425
1-(4-tert-butylphenyl)-3-(2,6-dimethylphenyl)urea
CID 108884885
4-tert-butyl-N-(4-phenoxyphenyl)benzamide
CID 675709
1-(4-tert-butylphenyl)-3-naphthalen-2-ylurea
CID 108884834
N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-2,5-dimethylbenzamide
CID 122303609
1-(4-ethoxyphenyl)-3-(2-methoxy-4,6-dimethylpyrimidin-5-yl)urea
CID 122302645
N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3-(trifluoromethoxy)benzamide
CID 122303779
N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-1-methyltriazole-4-carboxamide
CID 122303758
1-(2-phenoxypyrimidin-5-yl)-3-phenylurea
CID 122302271

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-3-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)urea?
The IUPAC name of 1-(4-tert-butylphenyl)-3-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)urea (CID 122303902) is 1-(4-tert-butylphenyl)-3-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)urea.
What is the SMILES notation for 1-(4-tert-butylphenyl)-3-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)urea?
The canonical SMILES for 1-(4-tert-butylphenyl)-3-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)urea is Cc1nc(Oc2ccccc2)nc(C)c1NC(=O)Nc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-3-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)urea?
The InChIKey is DANUJLMRXZKTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-15-20(16(2)25-22(24-15)29-19-9-7-6-8-10-19)27-21(28)26-18-13-11-17(12-14-18)23(3,4)5/h6-14H,1-5H3,(H2,26,27,28).
What are the key properties of 1-(4-tert-butylphenyl)-3-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)urea?
1-(4-tert-butylphenyl)-3-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)urea has a molecular weight of 390.49 g/mol, XLogP of 5.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-3-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)urea is sourced from PubChem (CID 122303902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).