1-cyclohexyl-3-(7H-purin-6-yl)urea

C12H16N6O — CID 3815754

IUPAC1-cyclohexyl-3-(7H-purin-6-yl)urea
SMILESO=C(Nc1ncnc2nc[nH]c12)NC1CCCCC1
InChIInChI=1S/C12H16N6O/c19-12(17-8-4-2-1-3-5-8)18-11-9-10(14-6-13-9)15-7-16-11/h6-8H,1-5H2,(H3,13,14,15,16,17,18,19)
InChIKeyZTODVUISDKQLGO-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.81
Rot. Bonds2

About 1-cyclohexyl-3-(7H-purin-6-yl)urea

1-cyclohexyl-3-(7H-purin-6-yl)urea (PubChem CID 3815754) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is 1-cyclohexyl-3-(7H-purin-6-yl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(7H-purin-6-yl)urea
PubChem CID3815754
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name1-cyclohexyl-3-(7H-purin-6-yl)urea
SMILESO=C(Nc1ncnc2nc[nH]c12)NC1CCCCC1
InChIInChI=1S/C12H16N6O/c19-12(17-8-4-2-1-3-5-8)18-11-9-10(14-6-13-9)15-7-16-11/h6-8H,1-5H2,(H3,13,14,15,16,17,18,19)
InChIKeyZTODVUISDKQLGO-UHFFFAOYSA-N
XLogP1.81
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-cyclohexyl-3-(7H-purin-6-yl)urea 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-cyclohexyl-3-(7H-purin-6-yl)urea?
The IUPAC name of 1-cyclohexyl-3-(7H-purin-6-yl)urea (CID 3815754) is 1-cyclohexyl-3-(7H-purin-6-yl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(7H-purin-6-yl)urea?
The canonical SMILES for 1-cyclohexyl-3-(7H-purin-6-yl)urea is O=C(Nc1ncnc2nc[nH]c12)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(7H-purin-6-yl)urea?
The InChIKey is ZTODVUISDKQLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c19-12(17-8-4-2-1-3-5-8)18-11-9-10(14-6-13-9)15-7-16-11/h6-8H,1-5H2,(H3,13,14,15,16,17,18,19).
What are the key properties of 1-cyclohexyl-3-(7H-purin-6-yl)urea?
1-cyclohexyl-3-(7H-purin-6-yl)urea has a molecular weight of 260.30 g/mol, XLogP of 1.81, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(7H-purin-6-yl)urea is sourced from PubChem (CID 3815754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).