1-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(6-oxopyrimidin-1-yl)ethyl]urea

C15H17ClN4O4 — CID 126832926

IUPAC1-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(6-oxopyrimidin-1-yl)ethyl]urea
SMILESCOc1cc(OC)c(NC(=O)NCCn2cnccc2=O)cc1Cl
InChIInChI=1S/C15H17ClN4O4/c1-23-12-8-13(24-2)11(7-10(12)16)19-15(22)18-5-6-20-9-17-4-3-14(20)21/h3-4,7-9H,5-6H2,1-2H3,(H2,18,19,22)
InChIKeyVTEHUGWYMANCIW-UHFFFAOYSA-N
MW352.78 g/mol
LogP1.74
Rot. Bonds6

About 1-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(6-oxopyrimidin-1-yl)ethyl]urea

1-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(6-oxopyrimidin-1-yl)ethyl]urea (PubChem CID 126832926) has the molecular formula C15H17ClN4O4 and a molecular weight of 352.78 g/mol. Its IUPAC name is 1-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(6-oxopyrimidin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(6-oxopyrimidin-1-yl)ethyl]urea
PubChem CID126832926
Molecular FormulaC15H17ClN4O4
Molecular Weight352.78 g/mol
Exact Mass352.09
IUPAC Name1-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(6-oxopyrimidin-1-yl)ethyl]urea
SMILESCOc1cc(OC)c(NC(=O)NCCn2cnccc2=O)cc1Cl
InChIInChI=1S/C15H17ClN4O4/c1-23-12-8-13(24-2)11(7-10(12)16)19-15(22)18-5-6-20-9-17-4-3-14(20)21/h3-4,7-9H,5-6H2,1-2H3,(H2,18,19,22)
InChIKeyVTEHUGWYMANCIW-UHFFFAOYSA-N
XLogP1.74
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.78
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(5-chloro-2,4-dimethoxyphenyl)-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-(3,4-dimethylphenyl)-3-[2-(6-oxopyrimidin-1-yl)ethyl]urea
CID 121121642
1-(5-chloro-2,4-dimethoxyphenyl)-3-(2-pyridin-3-ylethyl)urea
CID 3497619
1-(2,5-dimethoxyphenyl)-3-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]urea
CID 121119485
1-(5-chloro-2,4-dimethoxyphenyl)-3-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea
CID 53004172
(2S)-3-[(5-chloro-2,4-dimethoxyphenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 107837958
1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-3-(2,5-dimethoxyphenyl)urea
CID 121120208
1-(2-benzylsulfanylethyl)-3-(5-chloro-2,4-dimethoxyphenyl)urea
CID 3817217
3-chloro-N-(5-chloro-2,4-dimethoxyphenyl)pyridine-4-carboxamide
CID 66464599
1-(5-chloro-2,4-dimethoxyphenyl)-3-(3,4-difluorophenyl)urea
CID 54161267
1-(4-chloro-2,5-dimethoxyphenyl)-3-(methoxymethyl)urea
CID 110676079
1-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-methoxyphenyl)urea
CID 121120574
1-(5-chloro-2,4-dimethoxyphenyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]urea
CID 166231091

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(6-oxopyrimidin-1-yl)ethyl]urea?
The IUPAC name of 1-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(6-oxopyrimidin-1-yl)ethyl]urea (CID 126832926) is 1-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(6-oxopyrimidin-1-yl)ethyl]urea.
What is the SMILES notation for 1-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(6-oxopyrimidin-1-yl)ethyl]urea?
The canonical SMILES for 1-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(6-oxopyrimidin-1-yl)ethyl]urea is COc1cc(OC)c(NC(=O)NCCn2cnccc2=O)cc1Cl.
What is the InChIKey of 1-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(6-oxopyrimidin-1-yl)ethyl]urea?
The InChIKey is VTEHUGWYMANCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O4/c1-23-12-8-13(24-2)11(7-10(12)16)19-15(22)18-5-6-20-9-17-4-3-14(20)21/h3-4,7-9H,5-6H2,1-2H3,(H2,18,19,22).
What are the key properties of 1-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(6-oxopyrimidin-1-yl)ethyl]urea?
1-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(6-oxopyrimidin-1-yl)ethyl]urea has a molecular weight of 352.78 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(6-oxopyrimidin-1-yl)ethyl]urea is sourced from PubChem (CID 126832926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).