1-(4-methoxy-4-methylpentan-2-yl)-3-pyridin-2-ylurea

C13H21N3O2 — CID 75423119

IUPAC1-(4-methoxy-4-methylpentan-2-yl)-3-pyridin-2-ylurea
SMILESCOC(C)(C)CC(C)NC(=O)Nc1ccccn1
InChIInChI=1S/C13H21N3O2/c1-10(9-13(2,3)18-4)15-12(17)16-11-7-5-6-8-14-11/h5-8,10H,9H2,1-4H3,(H2,14,15,16,17)
InChIKeyOBSOHDOULDAUAP-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.41
Rot. Bonds5

About 1-(4-methoxy-4-methylpentan-2-yl)-3-pyridin-2-ylurea

1-(4-methoxy-4-methylpentan-2-yl)-3-pyridin-2-ylurea (PubChem CID 75423119) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(4-methoxy-4-methylpentan-2-yl)-3-pyridin-2-ylurea.

Molecular Properties

Compound Name1-(4-methoxy-4-methylpentan-2-yl)-3-pyridin-2-ylurea
PubChem CID75423119
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name1-(4-methoxy-4-methylpentan-2-yl)-3-pyridin-2-ylurea
SMILESCOC(C)(C)CC(C)NC(=O)Nc1ccccn1
InChIInChI=1S/C13H21N3O2/c1-10(9-13(2,3)18-4)15-12(17)16-11-7-5-6-8-14-11/h5-8,10H,9H2,1-4H3,(H2,14,15,16,17)
InChIKeyOBSOHDOULDAUAP-UHFFFAOYSA-N
XLogP2.41
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-methoxy-4-methylpentan-2-yl)-3-pyridin-2-ylurea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-4-methylpentan-2-yl)-3-pyridin-2-ylurea?
The IUPAC name of 1-(4-methoxy-4-methylpentan-2-yl)-3-pyridin-2-ylurea (CID 75423119) is 1-(4-methoxy-4-methylpentan-2-yl)-3-pyridin-2-ylurea.
What is the SMILES notation for 1-(4-methoxy-4-methylpentan-2-yl)-3-pyridin-2-ylurea?
The canonical SMILES for 1-(4-methoxy-4-methylpentan-2-yl)-3-pyridin-2-ylurea is COC(C)(C)CC(C)NC(=O)Nc1ccccn1.
What is the InChIKey of 1-(4-methoxy-4-methylpentan-2-yl)-3-pyridin-2-ylurea?
The InChIKey is OBSOHDOULDAUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10(9-13(2,3)18-4)15-12(17)16-11-7-5-6-8-14-11/h5-8,10H,9H2,1-4H3,(H2,14,15,16,17).
What are the key properties of 1-(4-methoxy-4-methylpentan-2-yl)-3-pyridin-2-ylurea?
1-(4-methoxy-4-methylpentan-2-yl)-3-pyridin-2-ylurea has a molecular weight of 251.33 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-4-methylpentan-2-yl)-3-pyridin-2-ylurea is sourced from PubChem (CID 75423119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).