9-phosphorosopurin-6-amine

C5H4N5OP — CID 57110561

IUPAC9-phosphorosopurin-6-amine
SMILESNc1ncnc2c1ncn2P=O
InChIInChI=1S/C5H4N5OP/c6-4-3-5(8-1-7-4)10(12-11)2-9-3/h1-2H,(H2,6,7,8)
InChIKeyMDDAOJHZPWZTIO-UHFFFAOYSA-N
MW181.10 g/mol
LogP0.46
Rot. Bonds1

About 9-phosphorosopurin-6-amine

9-phosphorosopurin-6-amine (PubChem CID 57110561) has the molecular formula C5H4N5OP and a molecular weight of 181.10 g/mol. Its IUPAC name is 9-phosphorosopurin-6-amine.

Molecular Properties

Compound Name9-phosphorosopurin-6-amine
PubChem CID57110561
Molecular FormulaC5H4N5OP
Molecular Weight181.10 g/mol
Exact Mass181.02
IUPAC Name9-phosphorosopurin-6-amine
SMILESNc1ncnc2c1ncn2P=O
InChIInChI=1S/C5H4N5OP/c6-4-3-5(8-1-7-4)10(12-11)2-9-3/h1-2H,(H2,6,7,8)
InChIKeyMDDAOJHZPWZTIO-UHFFFAOYSA-N
XLogP0.46
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.10
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 9-phosphorosopurin-6-amine 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

(6-aminopurin-9-yl) formate
CID 57250144
9-[4,6-bis(6-aminopurin-9-yl)-1,3,5-triazin-2-yl]purin-6-amine
CID 102192385
1-(6-aminopurin-9-yl)ethanone
CID 56662952
(2R)-2-amino-2-(6-aminopurin-9-yl)acetic acid
CID 40601282
(6-aminopurin-9-yl) acetate
CID 57119110
(6-aminopurin-9-yl)urea
CID 57269838
1-(6-aminopurin-9-yl)propan-2-one
CID 14258026
2-(6-aminopurin-9-yl)ethylazanium
CID 5248631
(6-aminopurin-9-yl)methyl-trifluoroboranuide
CID 63703097
9-[2-(phosphorosomethoxy)prop-2-enyl]purin-6-amine
CID 166551576
1-(6-aminopurin-9-yl)-3,3-dimethylbutan-2-one
CID 62023866
9-(3,3-diphosphorosocyclopentyl)purin-6-amine
CID 57063873

Frequently Asked Questions

What is the IUPAC name of 9-phosphorosopurin-6-amine?
The IUPAC name of 9-phosphorosopurin-6-amine (CID 57110561) is 9-phosphorosopurin-6-amine.
What is the SMILES notation for 9-phosphorosopurin-6-amine?
The canonical SMILES for 9-phosphorosopurin-6-amine is Nc1ncnc2c1ncn2P=O.
What is the InChIKey of 9-phosphorosopurin-6-amine?
The InChIKey is MDDAOJHZPWZTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N5OP/c6-4-3-5(8-1-7-4)10(12-11)2-9-3/h1-2H,(H2,6,7,8).
What are the key properties of 9-phosphorosopurin-6-amine?
9-phosphorosopurin-6-amine has a molecular weight of 181.10 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phosphorosopurin-6-amine is sourced from PubChem (CID 57110561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).