6-pentylpteridine-2,4-diamine

C11H16N6 — CID 86222310

IUPAC6-pentylpteridine-2,4-diamine
SMILESCCCCCc1cnc2nc(N)nc(N)c2n1
InChIInChI=1S/C11H16N6/c1-2-3-4-5-7-6-14-10-8(15-7)9(12)16-11(13)17-10/h6H,2-5H2,1H3,(H4,12,13,14,16,17)
InChIKeyMKBGEZRONFXHEQ-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.32
Rot. Bonds4

About 6-pentylpteridine-2,4-diamine

6-pentylpteridine-2,4-diamine (PubChem CID 86222310) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 6-pentylpteridine-2,4-diamine.

Molecular Properties

Compound Name6-pentylpteridine-2,4-diamine
PubChem CID86222310
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name6-pentylpteridine-2,4-diamine
SMILESCCCCCc1cnc2nc(N)nc(N)c2n1
InChIInChI=1S/C11H16N6/c1-2-3-4-5-7-6-14-10-8(15-7)9(12)16-11(13)17-10/h6H,2-5H2,1H3,(H4,12,13,14,16,17)
InChIKeyMKBGEZRONFXHEQ-UHFFFAOYSA-N
XLogP1.32
TPSA103.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-pentylpteridine-2,4-diamine?
The IUPAC name of 6-pentylpteridine-2,4-diamine (CID 86222310) is 6-pentylpteridine-2,4-diamine.
What is the SMILES notation for 6-pentylpteridine-2,4-diamine?
The canonical SMILES for 6-pentylpteridine-2,4-diamine is CCCCCc1cnc2nc(N)nc(N)c2n1.
What is the InChIKey of 6-pentylpteridine-2,4-diamine?
The InChIKey is MKBGEZRONFXHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-2-3-4-5-7-6-14-10-8(15-7)9(12)16-11(13)17-10/h6H,2-5H2,1H3,(H4,12,13,14,16,17).
What are the key properties of 6-pentylpteridine-2,4-diamine?
6-pentylpteridine-2,4-diamine has a molecular weight of 232.29 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pentylpteridine-2,4-diamine is sourced from PubChem (CID 86222310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).