6,7-dibutylpteridine-2,4-diamine

C14H22N6 — CID 3031245

IUPAC6,7-dibutylpteridine-2,4-diamine
SMILESCCCCc1nc2nc(N)nc(N)c2nc1CCCC
InChIInChI=1S/C14H22N6/c1-3-5-7-9-10(8-6-4-2)18-13-11(17-9)12(15)19-14(16)20-13/h3-8H2,1-2H3,(H4,15,16,18,19,20)
InChIKeyBAWOAZIHDXREMK-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.27
Rot. Bonds6

About 6,7-dibutylpteridine-2,4-diamine

6,7-dibutylpteridine-2,4-diamine (PubChem CID 3031245) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is 6,7-dibutylpteridine-2,4-diamine.

Molecular Properties

Compound Name6,7-dibutylpteridine-2,4-diamine
PubChem CID3031245
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC Name6,7-dibutylpteridine-2,4-diamine
SMILESCCCCc1nc2nc(N)nc(N)c2nc1CCCC
InChIInChI=1S/C14H22N6/c1-3-5-7-9-10(8-6-4-2)18-13-11(17-9)12(15)19-14(16)20-13/h3-8H2,1-2H3,(H4,15,16,18,19,20)
InChIKeyBAWOAZIHDXREMK-UHFFFAOYSA-N
XLogP2.27
TPSA103.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6,7-dibutylpteridine-2,4-diamine?
The IUPAC name of 6,7-dibutylpteridine-2,4-diamine (CID 3031245) is 6,7-dibutylpteridine-2,4-diamine.
What is the SMILES notation for 6,7-dibutylpteridine-2,4-diamine?
The canonical SMILES for 6,7-dibutylpteridine-2,4-diamine is CCCCc1nc2nc(N)nc(N)c2nc1CCCC.
What is the InChIKey of 6,7-dibutylpteridine-2,4-diamine?
The InChIKey is BAWOAZIHDXREMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6/c1-3-5-7-9-10(8-6-4-2)18-13-11(17-9)12(15)19-14(16)20-13/h3-8H2,1-2H3,(H4,15,16,18,19,20).
What are the key properties of 6,7-dibutylpteridine-2,4-diamine?
6,7-dibutylpteridine-2,4-diamine has a molecular weight of 274.37 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dibutylpteridine-2,4-diamine is sourced from PubChem (CID 3031245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).