2-amino-9-[3-hydroxy-2-(phosphanylmethoxy)propyl]-7,8-dihydro-1H-purin-6-one

C9H16N5O3P — CID 175173640

IUPAC2-amino-9-[3-hydroxy-2-(phosphanylmethoxy)propyl]-7,8-dihydro-1H-purin-6-one
SMILESNc1nc2c(c(=O)[nH]1)NCN2CC(CO)OCP
InChIInChI=1S/C9H16N5O3P/c10-9-12-7-6(8(16)13-9)11-3-14(7)1-5(2-15)17-4-18/h5,11,15H,1-4,18H2,(H3,10,12,13,16)
InChIKeySYOGOWHVCKBNSG-UHFFFAOYSA-N
MW273.23 g/mol
LogP-1.25
Rot. Bonds5

About 2-amino-9-[3-hydroxy-2-(phosphanylmethoxy)propyl]-7,8-dihydro-1H-purin-6-one

2-amino-9-[3-hydroxy-2-(phosphanylmethoxy)propyl]-7,8-dihydro-1H-purin-6-one (PubChem CID 175173640) has the molecular formula C9H16N5O3P and a molecular weight of 273.23 g/mol. Its IUPAC name is 2-amino-9-[3-hydroxy-2-(phosphanylmethoxy)propyl]-7,8-dihydro-1H-purin-6-one.

Molecular Properties

Compound Name2-amino-9-[3-hydroxy-2-(phosphanylmethoxy)propyl]-7,8-dihydro-1H-purin-6-one
PubChem CID175173640
Molecular FormulaC9H16N5O3P
Molecular Weight273.23 g/mol
Exact Mass273.10
IUPAC Name2-amino-9-[3-hydroxy-2-(phosphanylmethoxy)propyl]-7,8-dihydro-1H-purin-6-one
SMILESNc1nc2c(c(=O)[nH]1)NCN2CC(CO)OCP
InChIInChI=1S/C9H16N5O3P/c10-9-12-7-6(8(16)13-9)11-3-14(7)1-5(2-15)17-4-18/h5,11,15H,1-4,18H2,(H3,10,12,13,16)
InChIKeySYOGOWHVCKBNSG-UHFFFAOYSA-N
XLogP-1.25
TPSA116.50 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.23
LogP ≤ 5-1.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-9-[3-hydroxy-2-(phosphanylmethoxy)propyl]-7,8-dihydro-1H-purin-6-one?
The IUPAC name of 2-amino-9-[3-hydroxy-2-(phosphanylmethoxy)propyl]-7,8-dihydro-1H-purin-6-one (CID 175173640) is 2-amino-9-[3-hydroxy-2-(phosphanylmethoxy)propyl]-7,8-dihydro-1H-purin-6-one.
What is the SMILES notation for 2-amino-9-[3-hydroxy-2-(phosphanylmethoxy)propyl]-7,8-dihydro-1H-purin-6-one?
The canonical SMILES for 2-amino-9-[3-hydroxy-2-(phosphanylmethoxy)propyl]-7,8-dihydro-1H-purin-6-one is Nc1nc2c(c(=O)[nH]1)NCN2CC(CO)OCP.
What is the InChIKey of 2-amino-9-[3-hydroxy-2-(phosphanylmethoxy)propyl]-7,8-dihydro-1H-purin-6-one?
The InChIKey is SYOGOWHVCKBNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N5O3P/c10-9-12-7-6(8(16)13-9)11-3-14(7)1-5(2-15)17-4-18/h5,11,15H,1-4,18H2,(H3,10,12,13,16).
What are the key properties of 2-amino-9-[3-hydroxy-2-(phosphanylmethoxy)propyl]-7,8-dihydro-1H-purin-6-one?
2-amino-9-[3-hydroxy-2-(phosphanylmethoxy)propyl]-7,8-dihydro-1H-purin-6-one has a molecular weight of 273.23 g/mol, XLogP of -1.25, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9-[3-hydroxy-2-(phosphanylmethoxy)propyl]-7,8-dihydro-1H-purin-6-one is sourced from PubChem (CID 175173640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).