1-(4-methoxyphenyl)-3-(4-pyrimidin-4-yloxyphenyl)urea

C18H16N4O3 — CID 58930976

IUPAC1-(4-methoxyphenyl)-3-(4-pyrimidin-4-yloxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc(Oc3ccncn3)cc2)cc1
InChIInChI=1S/C18H16N4O3/c1-24-15-6-2-13(3-7-15)21-18(23)22-14-4-8-16(9-5-14)25-17-10-11-19-12-20-17/h2-12H,1H3,(H2,21,22,23)
InChIKeyOJAYTWLOIFXQPH-UHFFFAOYSA-N
MW336.35 g/mol
LogP3.92
Rot. Bonds5

About 1-(4-methoxyphenyl)-3-(4-pyrimidin-4-yloxyphenyl)urea

1-(4-methoxyphenyl)-3-(4-pyrimidin-4-yloxyphenyl)urea (PubChem CID 58930976) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-(4-pyrimidin-4-yloxyphenyl)urea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-(4-pyrimidin-4-yloxyphenyl)urea
PubChem CID58930976
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Name1-(4-methoxyphenyl)-3-(4-pyrimidin-4-yloxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc(Oc3ccncn3)cc2)cc1
InChIInChI=1S/C18H16N4O3/c1-24-15-6-2-13(3-7-15)21-18(23)22-14-4-8-16(9-5-14)25-17-10-11-19-12-20-17/h2-12H,1H3,(H2,21,22,23)
InChIKeyOJAYTWLOIFXQPH-UHFFFAOYSA-N
XLogP3.92
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-(4-pyrimidin-4-yloxyphenyl)carbamate
CID 133058698
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(4-pyrimidin-4-yloxyphenyl)urea
CID 25231150
1-(4-methoxyphenyl)-3-[6-(4-methylphenoxy)-3-pyridinyl]urea
CID 42691260
1,3-bis(4-methoxyphenyl)urea
CID 139045428
4-methoxy-2-pyrimidin-4-yloxybenzoic acid
CID 55134188
1-[4-(2-aminopyrimidin-4-yl)oxyphenyl]-3-phenylurea
CID 22936793
1-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 122312189
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
4-(3-methoxyphenoxy)pyrimidine
CID 140584284
N-(4-pyrimidin-4-yloxyphenyl)-2-(3,3,3-trifluoropropylsulfonyl)acetamide
CID 155959198
4-(4-pyrimidin-4-yloxybenzoyl)benzoic acid
CID 58302684
3-[(4-methoxyphenyl)carbamoylamino]pyrazine-2-carboxylic acid
CID 63260045

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-(4-pyrimidin-4-yloxyphenyl)urea?
The IUPAC name of 1-(4-methoxyphenyl)-3-(4-pyrimidin-4-yloxyphenyl)urea (CID 58930976) is 1-(4-methoxyphenyl)-3-(4-pyrimidin-4-yloxyphenyl)urea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-(4-pyrimidin-4-yloxyphenyl)urea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-(4-pyrimidin-4-yloxyphenyl)urea is COc1ccc(NC(=O)Nc2ccc(Oc3ccncn3)cc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-(4-pyrimidin-4-yloxyphenyl)urea?
The InChIKey is OJAYTWLOIFXQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c1-24-15-6-2-13(3-7-15)21-18(23)22-14-4-8-16(9-5-14)25-17-10-11-19-12-20-17/h2-12H,1H3,(H2,21,22,23).
What are the key properties of 1-(4-methoxyphenyl)-3-(4-pyrimidin-4-yloxyphenyl)urea?
1-(4-methoxyphenyl)-3-(4-pyrimidin-4-yloxyphenyl)urea has a molecular weight of 336.35 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-(4-pyrimidin-4-yloxyphenyl)urea is sourced from PubChem (CID 58930976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).