1-hydroxy-1-pentyl-3-(7H-purin-6-yl)urea

C11H16N6O2 — CID 175389383

IUPAC1-hydroxy-1-pentyl-3-(7H-purin-6-yl)urea
SMILESCCCCCN(O)C(=O)Nc1ncnc2nc[nH]c12
InChIInChI=1S/C11H16N6O2/c1-2-3-4-5-17(19)11(18)16-10-8-9(13-6-12-8)14-7-15-10/h6-7,19H,2-5H2,1H3,(H2,12,13,14,15,16,18)
InChIKeyXJRQEOAYSXJXNQ-UHFFFAOYSA-N
MW264.29 g/mol
LogP1.77
Rot. Bonds5

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

1-hydroxy-1-pentyl-3-(7H-purin-6-yl)urea (PubChem CID 175389383) has the molecular formula C11H16N6O2 and a molecular weight of 264.29 g/mol. Its IUPAC name is 1-hydroxy-1-pentyl-3-(7H-purin-6-yl)urea.

Molecular Properties

Compound Name1-hydroxy-1-pentyl-3-(7H-purin-6-yl)urea
PubChem CID175389383
Molecular FormulaC11H16N6O2
Molecular Weight264.29 g/mol
Exact Mass264.13
IUPAC Name1-hydroxy-1-pentyl-3-(7H-purin-6-yl)urea
SMILESCCCCCN(O)C(=O)Nc1ncnc2nc[nH]c12
InChIInChI=1S/C11H16N6O2/c1-2-3-4-5-17(19)11(18)16-10-8-9(13-6-12-8)14-7-15-10/h6-7,19H,2-5H2,1H3,(H2,12,13,14,15,16,18)
InChIKeyXJRQEOAYSXJXNQ-UHFFFAOYSA-N
XLogP1.77
TPSA107.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-hydroxy-1-pentyl-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

Related Compounds

(2S)-2-(7H-purin-6-ylamino)hexanoic acid;hydrochloride
CID 167991552
N-butyl-7H-purin-6-amine;ethane
CID 154667457
2-methyl-N-(7H-purin-6-yl)prop-2-enamide
CID 142419518
3-(ethylamino)-N-(7H-purin-6-yl)propanamide;dihydrochloride
CID 67008467
(2S)-2-chloro-N-(7H-purin-6-yl)propanamide
CID 41214843
1-(3-chloropropyl)-3-(7H-purin-6-yl)urea
CID 71487244
4-amino-N-(7H-purin-6-yl)butanamide;hydrochloride
CID 67008573
2,2-dimethyl-4-(7H-purin-6-ylamino)butanoic acid
CID 114285512
1-(2-methylphenyl)-3-(7H-purin-6-yl)urea
CID 585012
tert-butyl N-methyl-N-(7H-purin-6-ylamino)carbamate
CID 155175250
N-propyl-3-(7H-purin-6-ylamino)propanamide
CID 47299148
tert-butyl N-methyl-N-[3-oxo-3-(7H-purin-6-ylamino)propyl]carbamate
CID 44600958

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-pentyl-3-(7H-purin-6-yl)urea?
The IUPAC name of 1-hydroxy-1-pentyl-3-(7H-purin-6-yl)urea (CID 175389383) is 1-hydroxy-1-pentyl-3-(7H-purin-6-yl)urea.
What is the SMILES notation for 1-hydroxy-1-pentyl-3-(7H-purin-6-yl)urea?
The canonical SMILES for 1-hydroxy-1-pentyl-3-(7H-purin-6-yl)urea is CCCCCN(O)C(=O)Nc1ncnc2nc[nH]c12.
What is the InChIKey of 1-hydroxy-1-pentyl-3-(7H-purin-6-yl)urea?
The InChIKey is XJRQEOAYSXJXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O2/c1-2-3-4-5-17(19)11(18)16-10-8-9(13-6-12-8)14-7-15-10/h6-7,19H,2-5H2,1H3,(H2,12,13,14,15,16,18).
What are the key properties of 1-hydroxy-1-pentyl-3-(7H-purin-6-yl)urea?
1-hydroxy-1-pentyl-3-(7H-purin-6-yl)urea has a molecular weight of 264.29 g/mol, XLogP of 1.77, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-pentyl-3-(7H-purin-6-yl)urea is sourced from PubChem (CID 175389383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).