1-[2-(2-chlorophenyl)ethyl]-3-pyrimidin-2-ylurea

C13H13ClN4O — CID 108900277

IUPAC1-[2-(2-chlorophenyl)ethyl]-3-pyrimidin-2-ylurea
SMILESO=C(NCCc1ccccc1Cl)Nc1ncccn1
InChIInChI=1S/C13H13ClN4O/c14-11-5-2-1-4-10(11)6-9-17-13(19)18-12-15-7-3-8-16-12/h1-5,7-8H,6,9H2,(H2,15,16,17,18,19)
InChIKeyWLGAPOOUOIYMJQ-UHFFFAOYSA-N
MW276.73 g/mol
LogP2.49
Rot. Bonds4

About 1-[2-(2-chlorophenyl)ethyl]-3-pyrimidin-2-ylurea

1-[2-(2-chlorophenyl)ethyl]-3-pyrimidin-2-ylurea (PubChem CID 108900277) has the molecular formula C13H13ClN4O and a molecular weight of 276.73 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)ethyl]-3-pyrimidin-2-ylurea.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)ethyl]-3-pyrimidin-2-ylurea
PubChem CID108900277
Molecular FormulaC13H13ClN4O
Molecular Weight276.73 g/mol
Exact Mass276.08
IUPAC Name1-[2-(2-chlorophenyl)ethyl]-3-pyrimidin-2-ylurea
SMILESO=C(NCCc1ccccc1Cl)Nc1ncccn1
InChIInChI=1S/C13H13ClN4O/c14-11-5-2-1-4-10(11)6-9-17-13(19)18-12-15-7-3-8-16-12/h1-5,7-8H,6,9H2,(H2,15,16,17,18,19)
InChIKeyWLGAPOOUOIYMJQ-UHFFFAOYSA-N
XLogP2.49
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.73
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-3-[2-(2-chlorophenyl)ethyl]urea
CID 47455296
N-[2-[2-(2-chlorophenyl)ethylcarbamoylamino]ethyl]acetamide
CID 47448428
1-[2-(2-chlorophenyl)ethyl]-3-(3-hydroxyphenyl)urea
CID 108895923
1-[2-(2-chlorophenyl)ethyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812819
1-[2-(2-chlorophenyl)ethyl]-3-(2-methylpropyl)urea
CID 108867353
1-(2-chloro-4,6-dimethylphenyl)-3-[2-(2-chlorophenyl)ethyl]urea
CID 108900379
1-[2-(2-chlorophenyl)ethyl]-3-[(2-methylphenyl)methyl]urea
CID 60595877
1-[2-(2-chlorophenyl)ethyl]-3-[4-chloro-2-(trifluoromethyl)phenyl]urea
CID 108900378
1-(2-butan-2-ylphenyl)-3-[2-(2-chlorophenyl)ethyl]urea
CID 108900398
1-[2-(2-chlorophenyl)ethyl]-3-[2-(2-hydroxyethoxy)ethyl]urea
CID 108900299
N-[3-[2-(2-chlorophenyl)ethylcarbamoylamino]propyl]formamide
CID 108900336
1-(2,6-dichlorophenyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 108900131

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)ethyl]-3-pyrimidin-2-ylurea?
The IUPAC name of 1-[2-(2-chlorophenyl)ethyl]-3-pyrimidin-2-ylurea (CID 108900277) is 1-[2-(2-chlorophenyl)ethyl]-3-pyrimidin-2-ylurea.
What is the SMILES notation for 1-[2-(2-chlorophenyl)ethyl]-3-pyrimidin-2-ylurea?
The canonical SMILES for 1-[2-(2-chlorophenyl)ethyl]-3-pyrimidin-2-ylurea is O=C(NCCc1ccccc1Cl)Nc1ncccn1.
What is the InChIKey of 1-[2-(2-chlorophenyl)ethyl]-3-pyrimidin-2-ylurea?
The InChIKey is WLGAPOOUOIYMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O/c14-11-5-2-1-4-10(11)6-9-17-13(19)18-12-15-7-3-8-16-12/h1-5,7-8H,6,9H2,(H2,15,16,17,18,19).
What are the key properties of 1-[2-(2-chlorophenyl)ethyl]-3-pyrimidin-2-ylurea?
1-[2-(2-chlorophenyl)ethyl]-3-pyrimidin-2-ylurea has a molecular weight of 276.73 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)ethyl]-3-pyrimidin-2-ylurea is sourced from PubChem (CID 108900277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).