1-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-methylphenyl)urea

C15H18N4O2 — CID 121121360

IUPAC1-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NCCn2cncc(C)c2=O)cc1
InChIInChI=1S/C15H18N4O2/c1-11-3-5-13(6-4-11)18-15(21)17-7-8-19-10-16-9-12(2)14(19)20/h3-6,9-10H,7-8H2,1-2H3,(H2,17,18,21)
InChIKeyACGQHCWKVIDEMP-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.68
Rot. Bonds4

About 1-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-methylphenyl)urea

1-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-methylphenyl)urea (PubChem CID 121121360) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 1-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-methylphenyl)urea
PubChem CID121121360
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name1-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NCCn2cncc(C)c2=O)cc1
InChIInChI=1S/C15H18N4O2/c1-11-3-5-13(6-4-11)18-15(21)17-7-8-19-10-16-9-12(2)14(19)20/h3-6,9-10H,7-8H2,1-2H3,(H2,17,18,21)
InChIKeyACGQHCWKVIDEMP-UHFFFAOYSA-N
XLogP1.68
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethylphenyl)-3-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]urea
CID 121121388
4-methyl-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide
CID 121121030
1-[(4-fluorophenyl)methyl]-3-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]urea
CID 121121395
1-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-3-(3-phenylpropyl)urea
CID 121121413
2-(1,3-dioxoisoindol-2-yl)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide
CID 121121253
1-(3,4-dimethylphenyl)-3-[2-(6-oxopyrimidin-1-yl)ethyl]urea
CID 121121642
N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2,2-diphenylacetamide
CID 121121241
1-(4-chlorophenyl)-3-[2-(6-oxopyrimidin-1-yl)ethyl]urea
CID 121121634
1-(4-chlorophenyl)-3-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]urea
CID 121120963
2-fluoro-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide
CID 121121043
N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]cyclopentanecarboxamide
CID 121121015
N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]thiophene-2-carboxamide
CID 121121088

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-methylphenyl)urea (CID 121121360) is 1-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)NCCn2cncc(C)c2=O)cc1.
What is the InChIKey of 1-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-methylphenyl)urea?
The InChIKey is ACGQHCWKVIDEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-11-3-5-13(6-4-11)18-15(21)17-7-8-19-10-16-9-12(2)14(19)20/h3-6,9-10H,7-8H2,1-2H3,(H2,17,18,21).
What are the key properties of 1-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-methylphenyl)urea?
1-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-methylphenyl)urea has a molecular weight of 286.34 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-methylphenyl)urea is sourced from PubChem (CID 121121360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).