1-(3,4-dimethylphenyl)-3-[2-(6-oxopyrimidin-1-yl)ethyl]urea

C15H18N4O2 — CID 121121642

IUPAC1-(3,4-dimethylphenyl)-3-[2-(6-oxopyrimidin-1-yl)ethyl]urea
SMILESCc1ccc(NC(=O)NCCn2cnccc2=O)cc1C
InChIInChI=1S/C15H18N4O2/c1-11-3-4-13(9-12(11)2)18-15(21)17-7-8-19-10-16-6-5-14(19)20/h3-6,9-10H,7-8H2,1-2H3,(H2,17,18,21)
InChIKeyHEYFLODGVCTZKH-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.68
Rot. Bonds4

About 1-(3,4-dimethylphenyl)-3-[2-(6-oxopyrimidin-1-yl)ethyl]urea

1-(3,4-dimethylphenyl)-3-[2-(6-oxopyrimidin-1-yl)ethyl]urea (PubChem CID 121121642) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-[2-(6-oxopyrimidin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-[2-(6-oxopyrimidin-1-yl)ethyl]urea
PubChem CID121121642
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name1-(3,4-dimethylphenyl)-3-[2-(6-oxopyrimidin-1-yl)ethyl]urea
SMILESCc1ccc(NC(=O)NCCn2cnccc2=O)cc1C
InChIInChI=1S/C15H18N4O2/c1-11-3-4-13(9-12(11)2)18-15(21)17-7-8-19-10-16-6-5-14(19)20/h3-6,9-10H,7-8H2,1-2H3,(H2,17,18,21)
InChIKeyHEYFLODGVCTZKH-UHFFFAOYSA-N
XLogP1.68
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3,4-dimethylphenyl)-3-[2-(6-oxopyrimidin-1-yl)ethyl]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-(4-chlorophenyl)-3-[2-(6-oxopyrimidin-1-yl)ethyl]urea
CID 121121634
1-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(6-oxopyrimidin-1-yl)ethyl]urea
CID 126832926
1-[2-(2-cyclopropylimidazol-1-yl)ethyl]-3-(3,4-dimethylphenyl)urea
CID 91628992
1-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-methylphenyl)urea
CID 121121360
1-(3,4-dimethylphenyl)-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea
CID 71808079
2-(2-methylphenyl)-N-[2-(6-oxopyrimidin-1-yl)ethyl]propanamide
CID 154780665
1-(2-chloroethyl)-3-(3,4-dimethylphenyl)urea
CID 10105129
1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-methylphenyl)urea
CID 121120160
1-(3,4-dimethylphenyl)-3-(2-methoxyethyl)urea
CID 47135210
1-(2,4-dimethylphenyl)-3-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]urea
CID 121121388
1-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-3-(3,4-dimethylphenyl)urea
CID 121019969
1-(3,4-dimethylphenyl)-3-(2-phenylethyl)urea
CID 6470547

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-[2-(6-oxopyrimidin-1-yl)ethyl]urea?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-[2-(6-oxopyrimidin-1-yl)ethyl]urea (CID 121121642) is 1-(3,4-dimethylphenyl)-3-[2-(6-oxopyrimidin-1-yl)ethyl]urea.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-[2-(6-oxopyrimidin-1-yl)ethyl]urea?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-[2-(6-oxopyrimidin-1-yl)ethyl]urea is Cc1ccc(NC(=O)NCCn2cnccc2=O)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-[2-(6-oxopyrimidin-1-yl)ethyl]urea?
The InChIKey is HEYFLODGVCTZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-11-3-4-13(9-12(11)2)18-15(21)17-7-8-19-10-16-6-5-14(19)20/h3-6,9-10H,7-8H2,1-2H3,(H2,17,18,21).
What are the key properties of 1-(3,4-dimethylphenyl)-3-[2-(6-oxopyrimidin-1-yl)ethyl]urea?
1-(3,4-dimethylphenyl)-3-[2-(6-oxopyrimidin-1-yl)ethyl]urea has a molecular weight of 286.33 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-3-[2-(6-oxopyrimidin-1-yl)ethyl]urea is sourced from PubChem (CID 121121642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).