2-dimethylphosphoryl-7H-purin-6-amine

C7H10N5OP — CID 170722670

IUPAC2-dimethylphosphoryl-7H-purin-6-amine
SMILESCP(C)(=O)c1nc(N)c2[nH]cnc2n1
InChIInChI=1S/C7H10N5OP/c1-14(2,13)7-11-5(8)4-6(12-7)10-3-9-4/h3H,1-2H3,(H3,8,9,10,11,12)
InChIKeyXXQQYDKOCRUFIY-UHFFFAOYSA-N
MW211.16 g/mol
LogP0.18
Rot. Bonds1

About 2-dimethylphosphoryl-7H-purin-6-amine

2-dimethylphosphoryl-7H-purin-6-amine (PubChem CID 170722670) has the molecular formula C7H10N5OP and a molecular weight of 211.16 g/mol. Its IUPAC name is 2-dimethylphosphoryl-7H-purin-6-amine.

Molecular Properties

Compound Name2-dimethylphosphoryl-7H-purin-6-amine
PubChem CID170722670
Molecular FormulaC7H10N5OP
Molecular Weight211.16 g/mol
Exact Mass211.06
IUPAC Name2-dimethylphosphoryl-7H-purin-6-amine
SMILESCP(C)(=O)c1nc(N)c2[nH]cnc2n1
InChIInChI=1S/C7H10N5OP/c1-14(2,13)7-11-5(8)4-6(12-7)10-3-9-4/h3H,1-2H3,(H3,8,9,10,11,12)
InChIKeyXXQQYDKOCRUFIY-UHFFFAOYSA-N
XLogP0.18
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.16
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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
2-tert-butyl-7H-purin-6-amine
CID 21493394
bis(2-methyl-7H-purin-6-amine);sulfuric acid
CID 118855862
chloromercury;2-methoxy-7H-purin-6-amine
CID 69287233
methyl 6-amino-7H-purine-2-carboxylate
CID 45089293
2-propan-2-ylsulfanyl-7H-purin-6-amine
CID 23562726
ethyl 6-amino-7H-purine-2-carboxylate
CID 131259142
2-[(6-amino-7H-purin-2-yl)sulfanyl]acetic acid
CID 5200989
1-(6-amino-7H-purin-2-yl)propoxymethylphosphonic acid
CID 68824156
tert-butyl 6-amino-7H-purine-2-carboxylate
CID 135336272
2-octyl-7H-purin-6-amine
CID 139890933
methanol;7H-purin-6-amine
CID 67194832

Frequently Asked Questions

What is the IUPAC name of 2-dimethylphosphoryl-7H-purin-6-amine?
The IUPAC name of 2-dimethylphosphoryl-7H-purin-6-amine (CID 170722670) is 2-dimethylphosphoryl-7H-purin-6-amine.
What is the SMILES notation for 2-dimethylphosphoryl-7H-purin-6-amine?
The canonical SMILES for 2-dimethylphosphoryl-7H-purin-6-amine is CP(C)(=O)c1nc(N)c2[nH]cnc2n1.
What is the InChIKey of 2-dimethylphosphoryl-7H-purin-6-amine?
The InChIKey is XXQQYDKOCRUFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N5OP/c1-14(2,13)7-11-5(8)4-6(12-7)10-3-9-4/h3H,1-2H3,(H3,8,9,10,11,12).
What are the key properties of 2-dimethylphosphoryl-7H-purin-6-amine?
2-dimethylphosphoryl-7H-purin-6-amine has a molecular weight of 211.16 g/mol, XLogP of 0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethylphosphoryl-7H-purin-6-amine is sourced from PubChem (CID 170722670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).