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

C16H20N4O2 — CID 121121388

IUPAC1-(2,4-dimethylphenyl)-3-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]urea
SMILESCc1ccc(NC(=O)NCCn2cncc(C)c2=O)c(C)c1
InChIInChI=1S/C16H20N4O2/c1-11-4-5-14(12(2)8-11)19-16(22)18-6-7-20-10-17-9-13(3)15(20)21/h4-5,8-10H,6-7H2,1-3H3,(H2,18,19,22)
InChIKeyOQRKDXOLZOTYBG-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.99
Rot. Bonds4

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

1-(2,4-dimethylphenyl)-3-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]urea (PubChem CID 121121388) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-3-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-3-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]urea
PubChem CID121121388
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name1-(2,4-dimethylphenyl)-3-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]urea
SMILESCc1ccc(NC(=O)NCCn2cncc(C)c2=O)c(C)c1
InChIInChI=1S/C16H20N4O2/c1-11-4-5-14(12(2)8-11)19-16(22)18-6-7-20-10-17-9-13(3)15(20)21/h4-5,8-10H,6-7H2,1-3H3,(H2,18,19,22)
InChIKeyOQRKDXOLZOTYBG-UHFFFAOYSA-N
XLogP1.99
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-methylphenyl)urea
CID 121121360
4-methyl-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide
CID 121121030
N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2-(3-methylphenoxy)propanamide
CID 121121158
1-(2,4-dimethylphenyl)-3-(3-oxobutyl)urea
CID 108895054
1-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-3-(3-phenylpropyl)urea
CID 121121413
1-(2,4-dimethylphenyl)-3-[2-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl]ethyl]urea
CID 100575776
3,4-diethoxy-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide
CID 121121042
1-(2,4-dimethylphenyl)-3-(2-methoxyethyl)urea
CID 5054028
1-(2,4-dimethylphenyl)-3-[2-(2,4-dimethylphenyl)ethyl]urea
CID 3766021
2-(1,3-dioxoisoindol-2-yl)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide
CID 121121253
2,5-dimethoxy-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide
CID 121121150
1-(3,4-dimethylphenyl)-3-[2-(6-oxopyrimidin-1-yl)ethyl]urea
CID 121121642

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-3-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]urea?
The IUPAC name of 1-(2,4-dimethylphenyl)-3-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]urea (CID 121121388) is 1-(2,4-dimethylphenyl)-3-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]urea.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-3-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]urea?
The canonical SMILES for 1-(2,4-dimethylphenyl)-3-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]urea is Cc1ccc(NC(=O)NCCn2cncc(C)c2=O)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-3-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]urea?
The InChIKey is OQRKDXOLZOTYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-11-4-5-14(12(2)8-11)19-16(22)18-6-7-20-10-17-9-13(3)15(20)21/h4-5,8-10H,6-7H2,1-3H3,(H2,18,19,22).
What are the key properties of 1-(2,4-dimethylphenyl)-3-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]urea?
1-(2,4-dimethylphenyl)-3-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]urea has a molecular weight of 300.36 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-3-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]urea is sourced from PubChem (CID 121121388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).