6-(decoxymethyl)pteridine-2,4-diamine

C17H28N6O — CID 10616592

IUPAC6-(decoxymethyl)pteridine-2,4-diamine
SMILESCCCCCCCCCCOCc1cnc2nc(N)nc(N)c2n1
InChIInChI=1S/C17H28N6O/c1-2-3-4-5-6-7-8-9-10-24-12-13-11-20-16-14(21-13)15(18)22-17(19)23-16/h11H,2-10,12H2,1H3,(H4,18,19,20,22,23)
InChIKeyRPBIXWKHVLOUPN-UHFFFAOYSA-N
MW332.45 g/mol
LogP3.24
Rot. Bonds11

About 6-(decoxymethyl)pteridine-2,4-diamine

6-(decoxymethyl)pteridine-2,4-diamine (PubChem CID 10616592) has the molecular formula C17H28N6O and a molecular weight of 332.45 g/mol. Its IUPAC name is 6-(decoxymethyl)pteridine-2,4-diamine.

Molecular Properties

Compound Name6-(decoxymethyl)pteridine-2,4-diamine
PubChem CID10616592
Molecular FormulaC17H28N6O
Molecular Weight332.45 g/mol
Exact Mass332.23
IUPAC Name6-(decoxymethyl)pteridine-2,4-diamine
SMILESCCCCCCCCCCOCc1cnc2nc(N)nc(N)c2n1
InChIInChI=1S/C17H28N6O/c1-2-3-4-5-6-7-8-9-10-24-12-13-11-20-16-14(21-13)15(18)22-17(19)23-16/h11H,2-10,12H2,1H3,(H4,18,19,20,22,23)
InChIKeyRPBIXWKHVLOUPN-UHFFFAOYSA-N
XLogP3.24
TPSA112.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 53.24
H-Bond Donors ≤ 52
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 6-(decoxymethyl)pteridine-2,4-diamine?
The IUPAC name of 6-(decoxymethyl)pteridine-2,4-diamine (CID 10616592) is 6-(decoxymethyl)pteridine-2,4-diamine.
What is the SMILES notation for 6-(decoxymethyl)pteridine-2,4-diamine?
The canonical SMILES for 6-(decoxymethyl)pteridine-2,4-diamine is CCCCCCCCCCOCc1cnc2nc(N)nc(N)c2n1.
What is the InChIKey of 6-(decoxymethyl)pteridine-2,4-diamine?
The InChIKey is RPBIXWKHVLOUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6O/c1-2-3-4-5-6-7-8-9-10-24-12-13-11-20-16-14(21-13)15(18)22-17(19)23-16/h11H,2-10,12H2,1H3,(H4,18,19,20,22,23).
What are the key properties of 6-(decoxymethyl)pteridine-2,4-diamine?
6-(decoxymethyl)pteridine-2,4-diamine has a molecular weight of 332.45 g/mol, XLogP of 3.24, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(decoxymethyl)pteridine-2,4-diamine is sourced from PubChem (CID 10616592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).