1-(4-methoxy-2-methylphenyl)-3-(2-phenoxypyrimidin-5-yl)urea

C19H18N4O3 — CID 122302256

IUPAC1-(4-methoxy-2-methylphenyl)-3-(2-phenoxypyrimidin-5-yl)urea
SMILESCOc1ccc(NC(=O)Nc2cnc(Oc3ccccc3)nc2)c(C)c1
InChIInChI=1S/C19H18N4O3/c1-13-10-16(25-2)8-9-17(13)23-18(24)22-14-11-20-19(21-12-14)26-15-6-4-3-5-7-15/h3-12H,1-2H3,(H2,22,23,24)
InChIKeyKKAXRZMMDKFPEI-UHFFFAOYSA-N
MW350.38 g/mol
LogP4.23
Rot. Bonds5

About 1-(4-methoxy-2-methylphenyl)-3-(2-phenoxypyrimidin-5-yl)urea

1-(4-methoxy-2-methylphenyl)-3-(2-phenoxypyrimidin-5-yl)urea (PubChem CID 122302256) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 1-(4-methoxy-2-methylphenyl)-3-(2-phenoxypyrimidin-5-yl)urea.

Molecular Properties

Compound Name1-(4-methoxy-2-methylphenyl)-3-(2-phenoxypyrimidin-5-yl)urea
PubChem CID122302256
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name1-(4-methoxy-2-methylphenyl)-3-(2-phenoxypyrimidin-5-yl)urea
SMILESCOc1ccc(NC(=O)Nc2cnc(Oc3ccccc3)nc2)c(C)c1
InChIInChI=1S/C19H18N4O3/c1-13-10-16(25-2)8-9-17(13)23-18(24)22-14-11-20-19(21-12-14)26-15-6-4-3-5-7-15/h3-12H,1-2H3,(H2,22,23,24)
InChIKeyKKAXRZMMDKFPEI-UHFFFAOYSA-N
XLogP4.23
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(4-methoxy-2-methylphenyl)-3-(2-phenoxypyrimidin-5-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-phenoxypyrimidin-5-yl)-3-phenylurea
CID 122302271
1-(2,4-dimethylphenyl)-3-(3-methoxyphenyl)urea
CID 6469067
3-methoxy-N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302206
1-(2-ethoxyphenyl)-3-(2-phenoxypyrimidin-5-yl)urea
CID 122302267
1-(4-methoxy-2-methylphenyl)-3-(3-methylphenyl)urea
CID 46860185
1-(4-acetylphenyl)-3-(4-methoxy-2-methylphenyl)urea
CID 2954642
2,5-dimethyl-N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302232
1-(2,3-dimethylphenyl)-3-(4-methoxy-2-methylphenyl)urea
CID 46860194
1-(2,6-difluorophenyl)-3-(2-phenoxypyrimidin-5-yl)urea
CID 122302313
3,4,5-trimethoxy-N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302212
1-amino-3-(4-methoxy-2-methylphenyl)urea
CID 62872642
1-(2,4-difluorophenyl)-3-(4-methoxy-2-methylphenyl)urea
CID 972200

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-methylphenyl)-3-(2-phenoxypyrimidin-5-yl)urea?
The IUPAC name of 1-(4-methoxy-2-methylphenyl)-3-(2-phenoxypyrimidin-5-yl)urea (CID 122302256) is 1-(4-methoxy-2-methylphenyl)-3-(2-phenoxypyrimidin-5-yl)urea.
What is the SMILES notation for 1-(4-methoxy-2-methylphenyl)-3-(2-phenoxypyrimidin-5-yl)urea?
The canonical SMILES for 1-(4-methoxy-2-methylphenyl)-3-(2-phenoxypyrimidin-5-yl)urea is COc1ccc(NC(=O)Nc2cnc(Oc3ccccc3)nc2)c(C)c1.
What is the InChIKey of 1-(4-methoxy-2-methylphenyl)-3-(2-phenoxypyrimidin-5-yl)urea?
The InChIKey is KKAXRZMMDKFPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-13-10-16(25-2)8-9-17(13)23-18(24)22-14-11-20-19(21-12-14)26-15-6-4-3-5-7-15/h3-12H,1-2H3,(H2,22,23,24).
What are the key properties of 1-(4-methoxy-2-methylphenyl)-3-(2-phenoxypyrimidin-5-yl)urea?
1-(4-methoxy-2-methylphenyl)-3-(2-phenoxypyrimidin-5-yl)urea has a molecular weight of 350.38 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2-methylphenyl)-3-(2-phenoxypyrimidin-5-yl)urea is sourced from PubChem (CID 122302256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).