4-N-(3-aminopropyl)-6,7-dimethylpteridine-2,4-diamine

C11H17N7 — CID 86066250

IUPAC4-N-(3-aminopropyl)-6,7-dimethylpteridine-2,4-diamine
SMILESCc1nc2nc(N)nc(NCCCN)c2nc1C
InChIInChI=1S/C11H17N7/c1-6-7(2)16-10-8(15-6)9(14-5-3-4-12)17-11(13)18-10/h3-5,12H2,1-2H3,(H3,13,14,16,17,18)
InChIKeyGAGVTWIQOOQQOX-UHFFFAOYSA-N
MW247.31 g/mol
LogP0.38
Rot. Bonds4

About 4-N-(3-aminopropyl)-6,7-dimethylpteridine-2,4-diamine

4-N-(3-aminopropyl)-6,7-dimethylpteridine-2,4-diamine (PubChem CID 86066250) has the molecular formula C11H17N7 and a molecular weight of 247.31 g/mol. Its IUPAC name is 4-N-(3-aminopropyl)-6,7-dimethylpteridine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-aminopropyl)-6,7-dimethylpteridine-2,4-diamine
PubChem CID86066250
Molecular FormulaC11H17N7
Molecular Weight247.31 g/mol
Exact Mass247.15
IUPAC Name4-N-(3-aminopropyl)-6,7-dimethylpteridine-2,4-diamine
SMILESCc1nc2nc(N)nc(NCCCN)c2nc1C
InChIInChI=1S/C11H17N7/c1-6-7(2)16-10-8(15-6)9(14-5-3-4-12)17-11(13)18-10/h3-5,12H2,1-2H3,(H3,13,14,16,17,18)
InChIKeyGAGVTWIQOOQQOX-UHFFFAOYSA-N
XLogP0.38
TPSA115.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3-aminopropyl)-6,7-dimethylpteridine-2,4-diamine?
The IUPAC name of 4-N-(3-aminopropyl)-6,7-dimethylpteridine-2,4-diamine (CID 86066250) is 4-N-(3-aminopropyl)-6,7-dimethylpteridine-2,4-diamine.
What is the SMILES notation for 4-N-(3-aminopropyl)-6,7-dimethylpteridine-2,4-diamine?
The canonical SMILES for 4-N-(3-aminopropyl)-6,7-dimethylpteridine-2,4-diamine is Cc1nc2nc(N)nc(NCCCN)c2nc1C.
What is the InChIKey of 4-N-(3-aminopropyl)-6,7-dimethylpteridine-2,4-diamine?
The InChIKey is GAGVTWIQOOQQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7/c1-6-7(2)16-10-8(15-6)9(14-5-3-4-12)17-11(13)18-10/h3-5,12H2,1-2H3,(H3,13,14,16,17,18).
What are the key properties of 4-N-(3-aminopropyl)-6,7-dimethylpteridine-2,4-diamine?
4-N-(3-aminopropyl)-6,7-dimethylpteridine-2,4-diamine has a molecular weight of 247.31 g/mol, XLogP of 0.38, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-aminopropyl)-6,7-dimethylpteridine-2,4-diamine is sourced from PubChem (CID 86066250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).