1-(2-ethoxyphenyl)-3-(2-phenoxypyrimidin-5-yl)urea

C19H18N4O3 — CID 122302267

IUPAC1-(2-ethoxyphenyl)-3-(2-phenoxypyrimidin-5-yl)urea
SMILESCCOc1ccccc1NC(=O)Nc1cnc(Oc2ccccc2)nc1
InChIInChI=1S/C19H18N4O3/c1-2-25-17-11-7-6-10-16(17)23-18(24)22-14-12-20-19(21-13-14)26-15-8-4-3-5-9-15/h3-13H,2H2,1H3,(H2,22,23,24)
InChIKeyVDDUGMOEODGUAM-UHFFFAOYSA-N
MW350.38 g/mol
LogP4.31
Rot. Bonds6

About 1-(2-ethoxyphenyl)-3-(2-phenoxypyrimidin-5-yl)urea

1-(2-ethoxyphenyl)-3-(2-phenoxypyrimidin-5-yl)urea (PubChem CID 122302267) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-3-(2-phenoxypyrimidin-5-yl)urea.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-3-(2-phenoxypyrimidin-5-yl)urea
PubChem CID122302267
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name1-(2-ethoxyphenyl)-3-(2-phenoxypyrimidin-5-yl)urea
SMILESCCOc1ccccc1NC(=O)Nc1cnc(Oc2ccccc2)nc1
InChIInChI=1S/C19H18N4O3/c1-2-25-17-11-7-6-10-16(17)23-18(24)22-14-12-20-19(21-13-14)26-15-8-4-3-5-9-15/h3-13H,2H2,1H3,(H2,22,23,24)
InChIKeyVDDUGMOEODGUAM-UHFFFAOYSA-N
XLogP4.31
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2-ethoxyphenyl)-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-ethoxyphenyl)-3-(4-phenylphenyl)urea
CID 108867158
1-(4-methoxy-2-methylphenyl)-3-(2-phenoxypyrimidin-5-yl)urea
CID 122302256
1-(2-methoxyphenyl)-3-(2-methoxypyrimidin-5-yl)urea
CID 71799842
1-(2,6-difluorophenyl)-3-(2-phenoxypyrimidin-5-yl)urea
CID 122302313
1-[4-(dimethylamino)phenyl]-3-(2-ethoxyphenyl)urea
CID 108894849
phenyl N-(2-ethoxyphenyl)carbamate
CID 51345560
2,2-dimethyl-N-(2-phenoxypyrimidin-5-yl)propanamide
CID 122302193
1-(2-ethoxyphenyl)-3-(thiadiazol-5-yl)urea
CID 99796134
4-[5-[(2-ethoxyphenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxylic acid
CID 69448676
1-(2-butoxyphenyl)-3-phenylurea
CID 17087022
1-(2-ethoxyphenyl)-3-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]urea
CID 122297608
1-(2,6-difluorophenyl)-3-(2-ethoxyphenyl)urea
CID 108992038

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-3-(2-phenoxypyrimidin-5-yl)urea?
The IUPAC name of 1-(2-ethoxyphenyl)-3-(2-phenoxypyrimidin-5-yl)urea (CID 122302267) is 1-(2-ethoxyphenyl)-3-(2-phenoxypyrimidin-5-yl)urea.
What is the SMILES notation for 1-(2-ethoxyphenyl)-3-(2-phenoxypyrimidin-5-yl)urea?
The canonical SMILES for 1-(2-ethoxyphenyl)-3-(2-phenoxypyrimidin-5-yl)urea is CCOc1ccccc1NC(=O)Nc1cnc(Oc2ccccc2)nc1.
What is the InChIKey of 1-(2-ethoxyphenyl)-3-(2-phenoxypyrimidin-5-yl)urea?
The InChIKey is VDDUGMOEODGUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-2-25-17-11-7-6-10-16(17)23-18(24)22-14-12-20-19(21-13-14)26-15-8-4-3-5-9-15/h3-13H,2H2,1H3,(H2,22,23,24).
What are the key properties of 1-(2-ethoxyphenyl)-3-(2-phenoxypyrimidin-5-yl)urea?
1-(2-ethoxyphenyl)-3-(2-phenoxypyrimidin-5-yl)urea has a molecular weight of 350.38 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-3-(2-phenoxypyrimidin-5-yl)urea is sourced from PubChem (CID 122302267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).