1-(3-chlorophenyl)-3-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)urea

C11H11ClN4O2 — CID 70696165

IUPAC1-(3-chlorophenyl)-3-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)urea
SMILESO=C1CCN=C(NC(=O)Nc2cccc(Cl)c2)N1
InChIInChI=1S/C11H11ClN4O2/c12-7-2-1-3-8(6-7)14-11(18)16-10-13-5-4-9(17)15-10/h1-3,6H,4-5H2,(H3,13,14,15,16,17,18)
InChIKeyZHXSGXRAFLJYFN-UHFFFAOYSA-N
MW266.69 g/mol
LogP1.34
Rot. Bonds1

About 1-(3-chlorophenyl)-3-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)urea

1-(3-chlorophenyl)-3-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)urea (PubChem CID 70696165) has the molecular formula C11H11ClN4O2 and a molecular weight of 266.69 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)urea
PubChem CID70696165
Molecular FormulaC11H11ClN4O2
Molecular Weight266.69 g/mol
Exact Mass266.06
IUPAC Name1-(3-chlorophenyl)-3-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)urea
SMILESO=C1CCN=C(NC(=O)Nc2cccc(Cl)c2)N1
InChIInChI=1S/C11H11ClN4O2/c12-7-2-1-3-8(6-7)14-11(18)16-10-13-5-4-9(17)15-10/h1-3,6H,4-5H2,(H3,13,14,15,16,17,18)
InChIKeyZHXSGXRAFLJYFN-UHFFFAOYSA-N
XLogP1.34
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.69
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Fenobam Anhydrous
CID 135497698
N-(3-Chlorophenyl)-N'-(4,5-dihydro-1-methyl-4-oxo-1H-imidazol-2-yl)urea
CID 135659063
Guanidine, 1-(p-chlorophenyl)-3-(4-hydroxy-6-methyl-2-pyrimidinyl)-
CID 135408788
2-[(4-chlorophenyl)amino]-6-propylpyrimidin-4(3H)-one
CID 135472778
N-(3-chloro-4-fluorophenyl)-6-oxo-2-piperidin-1-yl-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 2952265
1-(3-chlorophenyl)-3-(1-methyl-5-oxo-4H-imidazol-2-yl)urea
CID 44408210
2-(4-chloro-anilino)-6-methyl-3H-pyrimidin-4-one
CID 135488566
Mls000738016
CID 229747
1-(3-chlorophenyl)-3-(3-methyl-5-oxo-4H-imidazol-2-yl)urea
CID 135413554
2-(2-Chloro-phenylamino)-3-phenyl-3,5-dihydro-imidazol-4-one
CID 1454523
2-(4-Chloro-phenylamino)-3-phenyl-3,5-dihydro-imidazol-4-one
CID 9549590
1-(3-Chlorophenyl)-3-(1-methyl-4-oxopyrimidin-2-yl)urea
CID 70687689

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)urea?
The IUPAC name of 1-(3-chlorophenyl)-3-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)urea (CID 70696165) is 1-(3-chlorophenyl)-3-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)urea is O=C1CCN=C(NC(=O)Nc2cccc(Cl)c2)N1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)urea?
The InChIKey is ZHXSGXRAFLJYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O2/c12-7-2-1-3-8(6-7)14-11(18)16-10-13-5-4-9(17)15-10/h1-3,6H,4-5H2,(H3,13,14,15,16,17,18).
What are the key properties of 1-(3-chlorophenyl)-3-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)urea?
1-(3-chlorophenyl)-3-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)urea has a molecular weight of 266.69 g/mol, XLogP of 1.34, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)urea is sourced from PubChem (CID 70696165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).