4-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6,7-dimethylpteridine-2,4-diamine

C18H33N9 — CID 91165591

IUPAC4-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6,7-dimethylpteridine-2,4-diamine
SMILESCc1nc2nc(N)nc(NCCCNCCCCNCCCN)c2nc1C
InChIInChI=1S/C18H33N9/c1-13-14(2)25-17-15(24-13)16(26-18(20)27-17)23-12-6-11-22-9-4-3-8-21-10-5-7-19/h21-22H,3-12,19H2,1-2H3,(H3,20,23,25,26,27)
InChIKeyGFPPNCZXSZVVKJ-UHFFFAOYSA-N
MW375.53 g/mol
LogP0.73
Rot. Bonds13

About 4-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6,7-dimethylpteridine-2,4-diamine

4-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6,7-dimethylpteridine-2,4-diamine (PubChem CID 91165591) has the molecular formula C18H33N9 and a molecular weight of 375.53 g/mol. Its IUPAC name is 4-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6,7-dimethylpteridine-2,4-diamine.

Molecular Properties

Compound Name4-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6,7-dimethylpteridine-2,4-diamine
PubChem CID91165591
Molecular FormulaC18H33N9
Molecular Weight375.53 g/mol
Exact Mass375.29
IUPAC Name4-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6,7-dimethylpteridine-2,4-diamine
SMILESCc1nc2nc(N)nc(NCCCNCCCCNCCCN)c2nc1C
InChIInChI=1S/C18H33N9/c1-13-14(2)25-17-15(24-13)16(26-18(20)27-17)23-12-6-11-22-9-4-3-8-21-10-5-7-19/h21-22H,3-12,19H2,1-2H3,(H3,20,23,25,26,27)
InChIKeyGFPPNCZXSZVVKJ-UHFFFAOYSA-N
XLogP0.73
TPSA139.69 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.53
LogP ≤ 50.73
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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-[4-(3-aminopropylamino)butylamino]propyl]-6,7-dimethylpteridine-2,4-diamine?
The IUPAC name of 4-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6,7-dimethylpteridine-2,4-diamine (CID 91165591) is 4-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6,7-dimethylpteridine-2,4-diamine.
What is the SMILES notation for 4-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6,7-dimethylpteridine-2,4-diamine?
The canonical SMILES for 4-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6,7-dimethylpteridine-2,4-diamine is Cc1nc2nc(N)nc(NCCCNCCCCNCCCN)c2nc1C.
What is the InChIKey of 4-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6,7-dimethylpteridine-2,4-diamine?
The InChIKey is GFPPNCZXSZVVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N9/c1-13-14(2)25-17-15(24-13)16(26-18(20)27-17)23-12-6-11-22-9-4-3-8-21-10-5-7-19/h21-22H,3-12,19H2,1-2H3,(H3,20,23,25,26,27).
What are the key properties of 4-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6,7-dimethylpteridine-2,4-diamine?
4-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6,7-dimethylpteridine-2,4-diamine has a molecular weight of 375.53 g/mol, XLogP of 0.73, 13 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6,7-dimethylpteridine-2,4-diamine is sourced from PubChem (CID 91165591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).