7-N,7-N-diaminopyrrolo[2,3-d]pyrimidine-4,7-diamine

C6H9N7 — CID 149017523

IUPAC7-N,7-N-diaminopyrrolo[2,3-d]pyrimidine-4,7-diamine
SMILESNc1ncnc2c1ccn2N(N)N
InChIInChI=1S/C6H9N7/c7-5-4-1-2-12(13(8)9)6(4)11-3-10-5/h1-3H,8-9H2,(H2,7,10,11)
InChIKeyQCVIJINQIXYYMS-UHFFFAOYSA-N
MW179.19 g/mol
LogP-1.30
Rot. Bonds1

About 7-N,7-N-diaminopyrrolo[2,3-d]pyrimidine-4,7-diamine

7-N,7-N-diaminopyrrolo[2,3-d]pyrimidine-4,7-diamine (PubChem CID 149017523) has the molecular formula C6H9N7 and a molecular weight of 179.19 g/mol. Its IUPAC name is 7-N,7-N-diaminopyrrolo[2,3-d]pyrimidine-4,7-diamine.

Molecular Properties

Compound Name7-N,7-N-diaminopyrrolo[2,3-d]pyrimidine-4,7-diamine
PubChem CID149017523
Molecular FormulaC6H9N7
Molecular Weight179.19 g/mol
Exact Mass179.09
IUPAC Name7-N,7-N-diaminopyrrolo[2,3-d]pyrimidine-4,7-diamine
SMILESNc1ncnc2c1ccn2N(N)N
InChIInChI=1S/C6H9N7/c7-5-4-1-2-12(13(8)9)6(4)11-3-10-5/h1-3H,8-9H2,(H2,7,10,11)
InChIKeyQCVIJINQIXYYMS-UHFFFAOYSA-N
XLogP-1.30
TPSA112.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 5-1.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-N,7-N-diaminopyrrolo[2,3-d]pyrimidine-4,7-diamine?
The IUPAC name of 7-N,7-N-diaminopyrrolo[2,3-d]pyrimidine-4,7-diamine (CID 149017523) is 7-N,7-N-diaminopyrrolo[2,3-d]pyrimidine-4,7-diamine.
What is the SMILES notation for 7-N,7-N-diaminopyrrolo[2,3-d]pyrimidine-4,7-diamine?
The canonical SMILES for 7-N,7-N-diaminopyrrolo[2,3-d]pyrimidine-4,7-diamine is Nc1ncnc2c1ccn2N(N)N.
What is the InChIKey of 7-N,7-N-diaminopyrrolo[2,3-d]pyrimidine-4,7-diamine?
The InChIKey is QCVIJINQIXYYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N7/c7-5-4-1-2-12(13(8)9)6(4)11-3-10-5/h1-3H,8-9H2,(H2,7,10,11).
What are the key properties of 7-N,7-N-diaminopyrrolo[2,3-d]pyrimidine-4,7-diamine?
7-N,7-N-diaminopyrrolo[2,3-d]pyrimidine-4,7-diamine has a molecular weight of 179.19 g/mol, XLogP of -1.30, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N,7-N-diaminopyrrolo[2,3-d]pyrimidine-4,7-diamine is sourced from PubChem (CID 149017523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).