1-cyclopropyl-3-(4,6-dimethyl-2-pyridinyl)-1-(2-hydroxyethyl)urea

C13H19N3O2 — CID 75508024

IUPAC1-cyclopropyl-3-(4,6-dimethyl-2-pyridinyl)-1-(2-hydroxyethyl)urea
SMILESCc1cc(C)nc(NC(=O)N(CCO)C2CC2)c1
InChIInChI=1S/C13H19N3O2/c1-9-7-10(2)14-12(8-9)15-13(18)16(5-6-17)11-3-4-11/h7-8,11,17H,3-6H2,1-2H3,(H,14,15,18)
InChIKeyJWOQMQLEIULHLV-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.69
Rot. Bonds4

About 1-cyclopropyl-3-(4,6-dimethyl-2-pyridinyl)-1-(2-hydroxyethyl)urea

1-cyclopropyl-3-(4,6-dimethyl-2-pyridinyl)-1-(2-hydroxyethyl)urea (PubChem CID 75508024) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-cyclopropyl-3-(4,6-dimethyl-2-pyridinyl)-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-(4,6-dimethyl-2-pyridinyl)-1-(2-hydroxyethyl)urea
PubChem CID75508024
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-cyclopropyl-3-(4,6-dimethyl-2-pyridinyl)-1-(2-hydroxyethyl)urea
SMILESCc1cc(C)nc(NC(=O)N(CCO)C2CC2)c1
InChIInChI=1S/C13H19N3O2/c1-9-7-10(2)14-12(8-9)15-13(18)16(5-6-17)11-3-4-11/h7-8,11,17H,3-6H2,1-2H3,(H,14,15,18)
InChIKeyJWOQMQLEIULHLV-UHFFFAOYSA-N
XLogP1.69
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(4,6-dimethyl-2-pyridinyl)-1-(2-hydroxyethyl)urea?
The IUPAC name of 1-cyclopropyl-3-(4,6-dimethyl-2-pyridinyl)-1-(2-hydroxyethyl)urea (CID 75508024) is 1-cyclopropyl-3-(4,6-dimethyl-2-pyridinyl)-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-cyclopropyl-3-(4,6-dimethyl-2-pyridinyl)-1-(2-hydroxyethyl)urea?
The canonical SMILES for 1-cyclopropyl-3-(4,6-dimethyl-2-pyridinyl)-1-(2-hydroxyethyl)urea is Cc1cc(C)nc(NC(=O)N(CCO)C2CC2)c1.
What is the InChIKey of 1-cyclopropyl-3-(4,6-dimethyl-2-pyridinyl)-1-(2-hydroxyethyl)urea?
The InChIKey is JWOQMQLEIULHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-7-10(2)14-12(8-9)15-13(18)16(5-6-17)11-3-4-11/h7-8,11,17H,3-6H2,1-2H3,(H,14,15,18).
What are the key properties of 1-cyclopropyl-3-(4,6-dimethyl-2-pyridinyl)-1-(2-hydroxyethyl)urea?
1-cyclopropyl-3-(4,6-dimethyl-2-pyridinyl)-1-(2-hydroxyethyl)urea has a molecular weight of 249.31 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(4,6-dimethyl-2-pyridinyl)-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 75508024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).