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

C13H13ClN4O2 — CID 121121634

IUPAC1-(4-chlorophenyl)-3-[2-(6-oxopyrimidin-1-yl)ethyl]urea
SMILESO=C(NCCn1cnccc1=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H13ClN4O2/c14-10-1-3-11(4-2-10)17-13(20)16-7-8-18-9-15-6-5-12(18)19/h1-6,9H,7-8H2,(H2,16,17,20)
InChIKeyXAYKHJBWGZHYCD-UHFFFAOYSA-N
MW292.73 g/mol
LogP1.72
Rot. Bonds4

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

1-(4-chlorophenyl)-3-[2-(6-oxopyrimidin-1-yl)ethyl]urea (PubChem CID 121121634) has the molecular formula C13H13ClN4O2 and a molecular weight of 292.73 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[2-(6-oxopyrimidin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[2-(6-oxopyrimidin-1-yl)ethyl]urea
PubChem CID121121634
Molecular FormulaC13H13ClN4O2
Molecular Weight292.73 g/mol
Exact Mass292.07
IUPAC Name1-(4-chlorophenyl)-3-[2-(6-oxopyrimidin-1-yl)ethyl]urea
SMILESO=C(NCCn1cnccc1=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H13ClN4O2/c14-10-1-3-11(4-2-10)17-13(20)16-7-8-18-9-15-6-5-12(18)19/h1-6,9H,7-8H2,(H2,16,17,20)
InChIKeyXAYKHJBWGZHYCD-UHFFFAOYSA-N
XLogP1.72
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.73
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethylphenyl)-3-[2-(6-oxopyrimidin-1-yl)ethyl]urea
CID 121121642
1-(4-chlorophenyl)-3-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]urea
CID 121120963
1-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(6-oxopyrimidin-1-yl)ethyl]urea
CID 126832926
1-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-methylphenyl)urea
CID 121121360
1-(4-chlorophenyl)-3-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]urea
CID 90589085
1-(4-chlorophenyl)-3-(2-pyrrol-1-ylethyl)urea
CID 110747680
1-(4-chlorophenyl)-3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]urea
CID 35766516
1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)ethyl]urea
CID 2805176
2-cyclopentyl-N-[2-(6-oxopyrimidin-1-yl)ethyl]acetamide
CID 121121461
N-(3-chlorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 115679492
1-(2-aminoethyl)-3-pyridin-4-ylurea
CID 82503728
1-(4-chlorophenyl)-3-(2-oxopropyl)urea
CID 64994340

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[2-(6-oxopyrimidin-1-yl)ethyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[2-(6-oxopyrimidin-1-yl)ethyl]urea (CID 121121634) is 1-(4-chlorophenyl)-3-[2-(6-oxopyrimidin-1-yl)ethyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[2-(6-oxopyrimidin-1-yl)ethyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[2-(6-oxopyrimidin-1-yl)ethyl]urea is O=C(NCCn1cnccc1=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[2-(6-oxopyrimidin-1-yl)ethyl]urea?
The InChIKey is XAYKHJBWGZHYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O2/c14-10-1-3-11(4-2-10)17-13(20)16-7-8-18-9-15-6-5-12(18)19/h1-6,9H,7-8H2,(H2,16,17,20).
What are the key properties of 1-(4-chlorophenyl)-3-[2-(6-oxopyrimidin-1-yl)ethyl]urea?
1-(4-chlorophenyl)-3-[2-(6-oxopyrimidin-1-yl)ethyl]urea has a molecular weight of 292.73 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[2-(6-oxopyrimidin-1-yl)ethyl]urea is sourced from PubChem (CID 121121634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).