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'}

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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).