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

C17H22N4O2 — CID 121121413

IUPAC1-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-3-(3-phenylpropyl)urea
SMILESCc1cncn(CCNC(=O)NCCCc2ccccc2)c1=O
InChIInChI=1S/C17H22N4O2/c1-14-12-18-13-21(16(14)22)11-10-20-17(23)19-9-5-8-15-6-3-2-4-7-15/h2-4,6-7,12-13H,5,8-11H2,1H3,(H2,19,20,23)
InChIKeySOAMZNZWHFDHCW-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.48
Rot. Bonds7

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

1-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-3-(3-phenylpropyl)urea (PubChem CID 121121413) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-3-(3-phenylpropyl)urea.

Molecular Properties

Compound Name1-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-3-(3-phenylpropyl)urea
PubChem CID121121413
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name1-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-3-(3-phenylpropyl)urea
SMILESCc1cncn(CCNC(=O)NCCCc2ccccc2)c1=O
InChIInChI=1S/C17H22N4O2/c1-14-12-18-13-21(16(14)22)11-10-20-17(23)19-9-5-8-15-6-3-2-4-7-15/h2-4,6-7,12-13H,5,8-11H2,1H3,(H2,19,20,23)
InChIKeySOAMZNZWHFDHCW-UHFFFAOYSA-N
XLogP1.48
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2,2-diphenylacetamide
CID 121121241
1-[(4-fluorophenyl)methyl]-3-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]urea
CID 121121395
N-[2-[2-(5-methyl-6-oxopyrimidin-1-yl)ethylamino]-2-oxoethyl]benzamide
CID 121121115
(E)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-3-phenylprop-2-enamide
CID 121121239
2-fluoro-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide
CID 121121043
2-(1,3-dioxoisoindol-2-yl)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide
CID 121121253
1-(2,4-dimethylphenyl)-3-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]urea
CID 121121388
3-(4-methoxyphenyl)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]propanamide
CID 121121097
N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]thiophene-2-carboxamide
CID 121121088
1-ethyl-3-(3-phenylpropyl)urea
CID 11769661
N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]cyclopentanecarboxamide
CID 121121015
2-(4-ethoxyphenyl)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide
CID 121121023

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-3-(3-phenylpropyl)urea?
The IUPAC name of 1-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-3-(3-phenylpropyl)urea (CID 121121413) is 1-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-3-(3-phenylpropyl)urea.
What is the SMILES notation for 1-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-3-(3-phenylpropyl)urea?
The canonical SMILES for 1-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-3-(3-phenylpropyl)urea is Cc1cncn(CCNC(=O)NCCCc2ccccc2)c1=O.
What is the InChIKey of 1-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-3-(3-phenylpropyl)urea?
The InChIKey is SOAMZNZWHFDHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-14-12-18-13-21(16(14)22)11-10-20-17(23)19-9-5-8-15-6-3-2-4-7-15/h2-4,6-7,12-13H,5,8-11H2,1H3,(H2,19,20,23).
What are the key properties of 1-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-3-(3-phenylpropyl)urea?
1-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-3-(3-phenylpropyl)urea has a molecular weight of 314.39 g/mol, XLogP of 1.48, 7 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-(3-phenylpropyl)urea is sourced from PubChem (CID 121121413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).