1-[2-(4-chlorophenoxy)ethyl]-1-methyl-3-(4-pyrimidin-2-yloxyphenyl)urea

C20H19ClN4O3 — CID 87044681

IUPAC1-[2-(4-chlorophenoxy)ethyl]-1-methyl-3-(4-pyrimidin-2-yloxyphenyl)urea
SMILESCN(CCOc1ccc(Cl)cc1)C(=O)Nc1ccc(Oc2ncccn2)cc1
InChIInChI=1S/C20H19ClN4O3/c1-25(13-14-27-17-7-3-15(21)4-8-17)20(26)24-16-5-9-18(10-6-16)28-19-22-11-2-12-23-19/h2-12H,13-14H2,1H3,(H,24,26)
InChIKeyOVAMUVGQEBFWIW-UHFFFAOYSA-N
MW398.85 g/mol
LogP4.47
Rot. Bonds7

About 1-[2-(4-chlorophenoxy)ethyl]-1-methyl-3-(4-pyrimidin-2-yloxyphenyl)urea

1-[2-(4-chlorophenoxy)ethyl]-1-methyl-3-(4-pyrimidin-2-yloxyphenyl)urea (PubChem CID 87044681) has the molecular formula C20H19ClN4O3 and a molecular weight of 398.85 g/mol. Its IUPAC name is 1-[2-(4-chlorophenoxy)ethyl]-1-methyl-3-(4-pyrimidin-2-yloxyphenyl)urea.

Molecular Properties

Compound Name1-[2-(4-chlorophenoxy)ethyl]-1-methyl-3-(4-pyrimidin-2-yloxyphenyl)urea
PubChem CID87044681
Molecular FormulaC20H19ClN4O3
Molecular Weight398.85 g/mol
Exact Mass398.11
IUPAC Name1-[2-(4-chlorophenoxy)ethyl]-1-methyl-3-(4-pyrimidin-2-yloxyphenyl)urea
SMILESCN(CCOc1ccc(Cl)cc1)C(=O)Nc1ccc(Oc2ncccn2)cc1
InChIInChI=1S/C20H19ClN4O3/c1-25(13-14-27-17-7-3-15(21)4-8-17)20(26)24-16-5-9-18(10-6-16)28-19-22-11-2-12-23-19/h2-12H,13-14H2,1H3,(H,24,26)
InChIKeyOVAMUVGQEBFWIW-UHFFFAOYSA-N
XLogP4.47
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-chlorophenoxy)ethyl]-1-methyl-3-pyridin-3-ylurea
CID 18101732
4-chloro-N-[4-[[2-(4-chlorophenoxy)ethyl-methylcarbamoyl]amino]phenyl]-N-methylbenzamide
CID 60577621
2-(4-chlorophenyl)sulfanyl-N-(4-pyrimidin-2-yloxyphenyl)acetamide
CID 55921251
4-(4-chlorophenyl)sulfanyl-N-(4-pyrimidin-2-yloxyphenyl)butanamide
CID 60549417
1-[2-(3-chlorophenoxy)ethyl]-3-(3-chlorophenyl)-1-methylurea
CID 24528515
1-[2-(4-methoxyphenoxy)ethyl]-3-(3-methoxyphenyl)-1-methylurea
CID 51328279
1-methyl-1-(2-phenoxyethyl)-3-(4-propylphenyl)urea
CID 112825014
3-(3-chloro-4-methylphenyl)-1-[2-(4-methoxyphenoxy)ethyl]-1-methylurea
CID 24528891
3-(2-bromo-4-methylphenyl)-1-[2-(4-chlorophenoxy)ethyl]-1-methylurea
CID 52593166
5-chloro-2-fluoro-N-(4-pyrimidin-2-yloxyphenyl)benzamide
CID 47051311
N-[4-[2-[2-(4-chlorophenoxy)ethyl-methylamino]propanoyl]phenyl]acetamide
CID 42911596
4-chloro-2-fluoro-N-(4-pyrimidin-2-yloxyphenyl)benzamide
CID 47051312

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]-1-methyl-3-(4-pyrimidin-2-yloxyphenyl)urea?
The IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]-1-methyl-3-(4-pyrimidin-2-yloxyphenyl)urea (CID 87044681) is 1-[2-(4-chlorophenoxy)ethyl]-1-methyl-3-(4-pyrimidin-2-yloxyphenyl)urea.
What is the SMILES notation for 1-[2-(4-chlorophenoxy)ethyl]-1-methyl-3-(4-pyrimidin-2-yloxyphenyl)urea?
The canonical SMILES for 1-[2-(4-chlorophenoxy)ethyl]-1-methyl-3-(4-pyrimidin-2-yloxyphenyl)urea is CN(CCOc1ccc(Cl)cc1)C(=O)Nc1ccc(Oc2ncccn2)cc1.
What is the InChIKey of 1-[2-(4-chlorophenoxy)ethyl]-1-methyl-3-(4-pyrimidin-2-yloxyphenyl)urea?
The InChIKey is OVAMUVGQEBFWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O3/c1-25(13-14-27-17-7-3-15(21)4-8-17)20(26)24-16-5-9-18(10-6-16)28-19-22-11-2-12-23-19/h2-12H,13-14H2,1H3,(H,24,26).
What are the key properties of 1-[2-(4-chlorophenoxy)ethyl]-1-methyl-3-(4-pyrimidin-2-yloxyphenyl)urea?
1-[2-(4-chlorophenoxy)ethyl]-1-methyl-3-(4-pyrimidin-2-yloxyphenyl)urea has a molecular weight of 398.85 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenoxy)ethyl]-1-methyl-3-(4-pyrimidin-2-yloxyphenyl)urea is sourced from PubChem (CID 87044681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).