1-(2-methoxyethyl)-3-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]urea

C13H18N6O2 — CID 90589073

IUPAC1-(2-methoxyethyl)-3-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]urea
SMILESCOCCNC(=O)NCCn1ccnc1-c1ncccn1
InChIInChI=1S/C13H18N6O2/c1-21-10-7-18-13(20)17-6-9-19-8-5-16-12(19)11-14-3-2-4-15-11/h2-5,8H,6-7,9-10H2,1H3,(H2,17,18,20)
InChIKeyRJUYQZOWUIKIQU-UHFFFAOYSA-N
MW290.33 g/mol
LogP0.29
Rot. Bonds7

About 1-(2-methoxyethyl)-3-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]urea

1-(2-methoxyethyl)-3-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]urea (PubChem CID 90589073) has the molecular formula C13H18N6O2 and a molecular weight of 290.33 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]urea
PubChem CID90589073
Molecular FormulaC13H18N6O2
Molecular Weight290.33 g/mol
Exact Mass290.15
IUPAC Name1-(2-methoxyethyl)-3-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]urea
SMILESCOCCNC(=O)NCCn1ccnc1-c1ncccn1
InChIInChI=1S/C13H18N6O2/c1-21-10-7-18-13(20)17-6-9-19-8-5-16-12(19)11-14-3-2-4-15-11/h2-5,8H,6-7,9-10H2,1H3,(H2,17,18,20)
InChIKeyRJUYQZOWUIKIQU-UHFFFAOYSA-N
XLogP0.29
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-(2-methoxyethyl)-3-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methoxyethyl)-3-[3-(2-phenylimidazol-1-yl)propyl]urea
CID 71789054
N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]benzamide
CID 90588830
3,4,5-triethoxy-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]benzamide
CID 90588973
1-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 71808259
N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]benzamide
CID 86266110
4-chloro-3-nitro-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]benzamide
CID 90588939
N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]butane-1-sulfonamide
CID 90588985
N-(2-methoxyethylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 2651102
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]acetamide
CID 71808214
1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-methoxyethyl)urea
CID 47216835
N-[2-[2-(2-ethoxyphenyl)imidazol-1-yl]ethyl]pyridine-3-carboxamide
CID 56915953
1-(2-methoxyethyl)-2-methyl-3-[4-(2-methylimidazol-1-yl)butyl]guanidine
CID 111770568

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]urea?
The IUPAC name of 1-(2-methoxyethyl)-3-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]urea (CID 90589073) is 1-(2-methoxyethyl)-3-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]urea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]urea?
The canonical SMILES for 1-(2-methoxyethyl)-3-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]urea is COCCNC(=O)NCCn1ccnc1-c1ncccn1.
What is the InChIKey of 1-(2-methoxyethyl)-3-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]urea?
The InChIKey is RJUYQZOWUIKIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O2/c1-21-10-7-18-13(20)17-6-9-19-8-5-16-12(19)11-14-3-2-4-15-11/h2-5,8H,6-7,9-10H2,1H3,(H2,17,18,20).
What are the key properties of 1-(2-methoxyethyl)-3-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]urea?
1-(2-methoxyethyl)-3-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]urea has a molecular weight of 290.33 g/mol, XLogP of 0.29, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]urea is sourced from PubChem (CID 90589073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).