1-(4-ethoxyphenyl)-3-(2-methoxy-4,6-dimethylpyrimidin-5-yl)urea

C16H20N4O3 — CID 122302645

IUPAC1-(4-ethoxyphenyl)-3-(2-methoxy-4,6-dimethylpyrimidin-5-yl)urea
SMILESCCOc1ccc(NC(=O)Nc2c(C)nc(OC)nc2C)cc1
InChIInChI=1S/C16H20N4O3/c1-5-23-13-8-6-12(7-9-13)19-15(21)20-14-10(2)17-16(22-4)18-11(14)3/h6-9H,5H2,1-4H3,(H2,19,20,21)
InChIKeyQAJOPRSBOMVILD-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.14
Rot. Bonds5

About 1-(4-ethoxyphenyl)-3-(2-methoxy-4,6-dimethylpyrimidin-5-yl)urea

1-(4-ethoxyphenyl)-3-(2-methoxy-4,6-dimethylpyrimidin-5-yl)urea (PubChem CID 122302645) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-(2-methoxy-4,6-dimethylpyrimidin-5-yl)urea.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-(2-methoxy-4,6-dimethylpyrimidin-5-yl)urea
PubChem CID122302645
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name1-(4-ethoxyphenyl)-3-(2-methoxy-4,6-dimethylpyrimidin-5-yl)urea
SMILESCCOc1ccc(NC(=O)Nc2c(C)nc(OC)nc2C)cc1
InChIInChI=1S/C16H20N4O3/c1-5-23-13-8-6-12(7-9-13)19-15(21)20-14-10(2)17-16(22-4)18-11(14)3/h6-9H,5H2,1-4H3,(H2,19,20,21)
InChIKeyQAJOPRSBOMVILD-UHFFFAOYSA-N
XLogP3.14
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-fluoro-4-methylphenyl)-3-(2-methoxy-4,6-dimethylpyrimidin-5-yl)urea
CID 122302650
1-(2,6-diethylphenyl)-3-(4-ethoxyphenyl)urea
CID 108874290
1-(4-ethoxyphenyl)-3-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)urea
CID 121081028
1-(2,6-difluorophenyl)-3-(4-ethoxyphenyl)urea
CID 108874314
1-(4-tert-butylphenyl)-3-(4-ethoxyphenyl)urea
CID 108874354
N-[(4-ethoxyphenyl)carbamoyl]formamide
CID 174454424
4-[(4-ethoxyphenyl)carbamoylamino]benzoic acid
CID 108874268
2-(4-chlorophenoxy)-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)acetamide
CID 91969137
1,3-bis(4-methoxyphenyl)urea
CID 139045428
1-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(4-methoxyphenyl)urea
CID 122356489
1-(4-ethoxyphenyl)-3-[5-(2-methoxyacetyl)-2,6-dimethyl-3-pyridinyl]urea
CID 9459709
1-(4-butylphenyl)-3-(4-ethoxyphenyl)urea
CID 108874274

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-(2-methoxy-4,6-dimethylpyrimidin-5-yl)urea?
The IUPAC name of 1-(4-ethoxyphenyl)-3-(2-methoxy-4,6-dimethylpyrimidin-5-yl)urea (CID 122302645) is 1-(4-ethoxyphenyl)-3-(2-methoxy-4,6-dimethylpyrimidin-5-yl)urea.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-(2-methoxy-4,6-dimethylpyrimidin-5-yl)urea?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-(2-methoxy-4,6-dimethylpyrimidin-5-yl)urea is CCOc1ccc(NC(=O)Nc2c(C)nc(OC)nc2C)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-(2-methoxy-4,6-dimethylpyrimidin-5-yl)urea?
The InChIKey is QAJOPRSBOMVILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-5-23-13-8-6-12(7-9-13)19-15(21)20-14-10(2)17-16(22-4)18-11(14)3/h6-9H,5H2,1-4H3,(H2,19,20,21).
What are the key properties of 1-(4-ethoxyphenyl)-3-(2-methoxy-4,6-dimethylpyrimidin-5-yl)urea?
1-(4-ethoxyphenyl)-3-(2-methoxy-4,6-dimethylpyrimidin-5-yl)urea has a molecular weight of 316.36 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-(2-methoxy-4,6-dimethylpyrimidin-5-yl)urea is sourced from PubChem (CID 122302645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).