1-(4-chlorophenyl)-3-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]urea

C15H17ClN4O2 — CID 121120963

IUPAC1-(4-chlorophenyl)-3-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]urea
SMILESCc1ncn(CCNC(=O)Nc2ccc(Cl)cc2)c(=O)c1C
InChIInChI=1S/C15H17ClN4O2/c1-10-11(2)18-9-20(14(10)21)8-7-17-15(22)19-13-5-3-12(16)4-6-13/h3-6,9H,7-8H2,1-2H3,(H2,17,19,22)
InChIKeyKRAWAEPUEDWLEY-UHFFFAOYSA-N
MW320.78 g/mol
LogP2.34
Rot. Bonds4

About 1-(4-chlorophenyl)-3-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]urea

1-(4-chlorophenyl)-3-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]urea (PubChem CID 121120963) has the molecular formula C15H17ClN4O2 and a molecular weight of 320.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]urea
PubChem CID121120963
Molecular FormulaC15H17ClN4O2
Molecular Weight320.78 g/mol
Exact Mass320.10
IUPAC Name1-(4-chlorophenyl)-3-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]urea
SMILESCc1ncn(CCNC(=O)Nc2ccc(Cl)cc2)c(=O)c1C
InChIInChI=1S/C15H17ClN4O2/c1-10-11(2)18-9-20(14(10)21)8-7-17-15(22)19-13-5-3-12(16)4-6-13/h3-6,9H,7-8H2,1-2H3,(H2,17,19,22)
InChIKeyKRAWAEPUEDWLEY-UHFFFAOYSA-N
XLogP2.34
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]benzamide
CID 121120714
1-(4-chlorophenyl)-3-[2-(6-oxopyrimidin-1-yl)ethyl]urea
CID 121121634
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]propanamide
CID 121120623
1-(4-chlorophenyl)-3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]urea
CID 35766516
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-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-3-(thiophen-2-ylmethyl)urea
CID 71795211
4-tert-butyl-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]benzamide
CID 121120830
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(2-methylphenyl)acetamide
CID 121120778
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 121120854
1-(4-chlorophenyl)-3-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]urea
CID 19283618
1-(4-chlorophenyl)-3-(2-pyrrol-1-ylethyl)urea
CID 110747680

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]urea (CID 121120963) is 1-(4-chlorophenyl)-3-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]urea is Cc1ncn(CCNC(=O)Nc2ccc(Cl)cc2)c(=O)c1C.
What is the InChIKey of 1-(4-chlorophenyl)-3-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]urea?
The InChIKey is KRAWAEPUEDWLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O2/c1-10-11(2)18-9-20(14(10)21)8-7-17-15(22)19-13-5-3-12(16)4-6-13/h3-6,9H,7-8H2,1-2H3,(H2,17,19,22).
What are the key properties of 1-(4-chlorophenyl)-3-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]urea?
1-(4-chlorophenyl)-3-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]urea has a molecular weight of 320.78 g/mol, XLogP of 2.34, 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-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]urea is sourced from PubChem (CID 121120963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).