2-[2-[(oxo-λ5-phosphanylidyne)methoxy]propyl]-7H-purin-6-amine

C9H10N5O2P — CID 153326115

IUPAC2-[2-[(oxo-λ5-phosphanylidyne)methoxy]propyl]-7H-purin-6-amine
SMILESCC(Cc1nc(N)c2[nH]cnc2n1)OC#P=O
InChIInChI=1S/C9H10N5O2P/c1-5(16-4-17-15)2-6-13-8(10)7-9(14-6)12-3-11-7/h3,5H,2H2,1H3,(H3,10,11,12,13,14)
InChIKeyVCUOSEXUTALZEM-UHFFFAOYSA-N
MW251.19 g/mol
LogP1.09
Rot. Bonds3

About 2-[2-[(oxo-λ5-phosphanylidyne)methoxy]propyl]-7H-purin-6-amine

2-[2-[(oxo-λ5-phosphanylidyne)methoxy]propyl]-7H-purin-6-amine (PubChem CID 153326115) has the molecular formula C9H10N5O2P and a molecular weight of 251.19 g/mol. Its IUPAC name is 2-[2-[(oxo-λ5-phosphanylidyne)methoxy]propyl]-7H-purin-6-amine.

Molecular Properties

Compound Name2-[2-[(oxo-λ5-phosphanylidyne)methoxy]propyl]-7H-purin-6-amine
PubChem CID153326115
Molecular FormulaC9H10N5O2P
Molecular Weight251.19 g/mol
Exact Mass251.06
IUPAC Name2-[2-[(oxo-λ5-phosphanylidyne)methoxy]propyl]-7H-purin-6-amine
SMILESCC(Cc1nc(N)c2[nH]cnc2n1)OC#P=O
InChIInChI=1S/C9H10N5O2P/c1-5(16-4-17-15)2-6-13-8(10)7-9(14-6)12-3-11-7/h3,5H,2H2,1H3,(H3,10,11,12,13,14)
InChIKeyVCUOSEXUTALZEM-UHFFFAOYSA-N
XLogP1.09
TPSA106.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.19
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-7H-purin-6-amine
CID 19795383
1-(6-amino-7H-purin-2-yl)-3-phenoxypropan-2-ol
CID 155490354
2-propan-2-ylsulfanyl-7H-purin-6-amine
CID 23562726
2-octyl-7H-purin-6-amine
CID 139890933
chloromercury;2-methoxy-7H-purin-6-amine
CID 69287233
2-[(6-amino-7H-purin-2-yl)methoxy]ethanol
CID 20566205
2-benzyl-7H-purin-6-amine
CID 15986830
2-(2,2,3,3,3-pentafluoropropyl)-7H-purin-6-amine
CID 87990472
methyl 6-amino-7H-purine-2-carboxylate
CID 45089293
bis(2-methyl-7H-purin-6-amine);sulfuric acid
CID 118855862
(NZ)-N-[4-(6-amino-7H-purin-2-yl)butan-2-ylidene]hydroxylamine
CID 19762005
4-[(6-amino-7H-purin-2-yl)methyl]benzenethiol
CID 139889521

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(oxo-λ5-phosphanylidyne)methoxy]propyl]-7H-purin-6-amine?
The IUPAC name of 2-[2-[(oxo-λ5-phosphanylidyne)methoxy]propyl]-7H-purin-6-amine (CID 153326115) is 2-[2-[(oxo-λ5-phosphanylidyne)methoxy]propyl]-7H-purin-6-amine.
What is the SMILES notation for 2-[2-[(oxo-λ5-phosphanylidyne)methoxy]propyl]-7H-purin-6-amine?
The canonical SMILES for 2-[2-[(oxo-λ5-phosphanylidyne)methoxy]propyl]-7H-purin-6-amine is CC(Cc1nc(N)c2[nH]cnc2n1)OC#P=O.
What is the InChIKey of 2-[2-[(oxo-λ5-phosphanylidyne)methoxy]propyl]-7H-purin-6-amine?
The InChIKey is VCUOSEXUTALZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N5O2P/c1-5(16-4-17-15)2-6-13-8(10)7-9(14-6)12-3-11-7/h3,5H,2H2,1H3,(H3,10,11,12,13,14).
What are the key properties of 2-[2-[(oxo-λ5-phosphanylidyne)methoxy]propyl]-7H-purin-6-amine?
2-[2-[(oxo-λ5-phosphanylidyne)methoxy]propyl]-7H-purin-6-amine has a molecular weight of 251.19 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(oxo-λ5-phosphanylidyne)methoxy]propyl]-7H-purin-6-amine is sourced from PubChem (CID 153326115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).