1-(5-chloro-2-methoxyphenyl)-3-(2,4-dimethoxypyrimidin-5-yl)urea

C14H15ClN4O4 — CID 122303962

IUPAC1-(5-chloro-2-methoxyphenyl)-3-(2,4-dimethoxypyrimidin-5-yl)urea
SMILESCOc1ncc(NC(=O)Nc2cc(Cl)ccc2OC)c(OC)n1
InChIInChI=1S/C14H15ClN4O4/c1-21-11-5-4-8(15)6-9(11)17-13(20)18-10-7-16-14(23-3)19-12(10)22-2/h4-7H,1-3H3,(H2,17,18,20)
InChIKeyFJGDKICCFOGRKX-UHFFFAOYSA-N
MW338.75 g/mol
LogP2.80
Rot. Bonds5

About 1-(5-chloro-2-methoxyphenyl)-3-(2,4-dimethoxypyrimidin-5-yl)urea

1-(5-chloro-2-methoxyphenyl)-3-(2,4-dimethoxypyrimidin-5-yl)urea (PubChem CID 122303962) has the molecular formula C14H15ClN4O4 and a molecular weight of 338.75 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-(2,4-dimethoxypyrimidin-5-yl)urea.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-(2,4-dimethoxypyrimidin-5-yl)urea
PubChem CID122303962
Molecular FormulaC14H15ClN4O4
Molecular Weight338.75 g/mol
Exact Mass338.08
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-(2,4-dimethoxypyrimidin-5-yl)urea
SMILESCOc1ncc(NC(=O)Nc2cc(Cl)ccc2OC)c(OC)n1
InChIInChI=1S/C14H15ClN4O4/c1-21-11-5-4-8(15)6-9(11)17-13(20)18-10-7-16-14(23-3)19-12(10)22-2/h4-7H,1-3H3,(H2,17,18,20)
InChIKeyFJGDKICCFOGRKX-UHFFFAOYSA-N
XLogP2.80
TPSA94.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.75
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(5-chloro-2-methoxyphenyl)-3-(2,4-dimethoxypyrimidin-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

5-chloro-N-(2,4-dimethoxypyrimidin-5-yl)-2-methoxybenzamide
CID 71807581
1-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-4,6-dimethylpyrimidin-5-yl)urea
CID 122302630
1-(5-chloro-2-methoxyphenyl)-3-(4,6-dimethyl-2-pyridinyl)urea
CID 971831
(2S)-2-amino-N-(5-chloro-2-methoxyphenyl)propanamide;hydrochloride
CID 119262144
1-(5-chloro-2-methoxyphenyl)-3-(2,4,6-trimethylphenyl)urea
CID 108875486
1-(5-chloro-2-methoxyphenyl)-3-(2-methyl-1,8-naphthyridin-4-yl)urea
CID 52945092
1-(5-chloro-2-methoxyphenyl)-3-(1H-indazol-6-yl)urea
CID 108875557
3-(5-chloro-2-methoxyanilino)-2-methyl-3-oxopropanoic acid
CID 83550581
1-(5-chloro-2-methoxyphenyl)-3-(cyanomethyl)urea
CID 108864649
1-(5-chloro-2-methoxyphenyl)-3-prop-1-en-2-ylurea
CID 108910159
1-(5-chloro-2-methoxyphenyl)-3-(3,4-diethoxyphenyl)urea
CID 108875508
methyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]acetate
CID 108875604

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(2,4-dimethoxypyrimidin-5-yl)urea?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(2,4-dimethoxypyrimidin-5-yl)urea (CID 122303962) is 1-(5-chloro-2-methoxyphenyl)-3-(2,4-dimethoxypyrimidin-5-yl)urea.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-(2,4-dimethoxypyrimidin-5-yl)urea?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-(2,4-dimethoxypyrimidin-5-yl)urea is COc1ncc(NC(=O)Nc2cc(Cl)ccc2OC)c(OC)n1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-(2,4-dimethoxypyrimidin-5-yl)urea?
The InChIKey is FJGDKICCFOGRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O4/c1-21-11-5-4-8(15)6-9(11)17-13(20)18-10-7-16-14(23-3)19-12(10)22-2/h4-7H,1-3H3,(H2,17,18,20).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-(2,4-dimethoxypyrimidin-5-yl)urea?
1-(5-chloro-2-methoxyphenyl)-3-(2,4-dimethoxypyrimidin-5-yl)urea has a molecular weight of 338.75 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-(2,4-dimethoxypyrimidin-5-yl)urea is sourced from PubChem (CID 122303962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).