6-(piperidin-1-ylmethyl)pteridine-2,4-diamine

C12H17N7 — CID 167878775

IUPAC6-(piperidin-1-ylmethyl)pteridine-2,4-diamine
SMILESNc1nc(N)c2nc(CN3CCCCC3)cnc2n1
InChIInChI=1S/C12H17N7/c13-10-9-11(18-12(14)17-10)15-6-8(16-9)7-19-4-2-1-3-5-19/h6H,1-5,7H2,(H4,13,14,15,17,18)
InChIKeyDKNTYJIJZBIFNJ-UHFFFAOYSA-N
MW259.32 g/mol
LogP0.57
Rot. Bonds2

About 6-(piperidin-1-ylmethyl)pteridine-2,4-diamine

6-(piperidin-1-ylmethyl)pteridine-2,4-diamine (PubChem CID 167878775) has the molecular formula C12H17N7 and a molecular weight of 259.32 g/mol. Its IUPAC name is 6-(piperidin-1-ylmethyl)pteridine-2,4-diamine.

Molecular Properties

Compound Name6-(piperidin-1-ylmethyl)pteridine-2,4-diamine
PubChem CID167878775
Molecular FormulaC12H17N7
Molecular Weight259.32 g/mol
Exact Mass259.15
IUPAC Name6-(piperidin-1-ylmethyl)pteridine-2,4-diamine
SMILESNc1nc(N)c2nc(CN3CCCCC3)cnc2n1
InChIInChI=1S/C12H17N7/c13-10-9-11(18-12(14)17-10)15-6-8(16-9)7-19-4-2-1-3-5-19/h6H,1-5,7H2,(H4,13,14,15,17,18)
InChIKeyDKNTYJIJZBIFNJ-UHFFFAOYSA-N
XLogP0.57
TPSA106.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(piperidin-1-ylmethyl)pteridine-2,4-diamine?
The IUPAC name of 6-(piperidin-1-ylmethyl)pteridine-2,4-diamine (CID 167878775) is 6-(piperidin-1-ylmethyl)pteridine-2,4-diamine.
What is the SMILES notation for 6-(piperidin-1-ylmethyl)pteridine-2,4-diamine?
The canonical SMILES for 6-(piperidin-1-ylmethyl)pteridine-2,4-diamine is Nc1nc(N)c2nc(CN3CCCCC3)cnc2n1.
What is the InChIKey of 6-(piperidin-1-ylmethyl)pteridine-2,4-diamine?
The InChIKey is DKNTYJIJZBIFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N7/c13-10-9-11(18-12(14)17-10)15-6-8(16-9)7-19-4-2-1-3-5-19/h6H,1-5,7H2,(H4,13,14,15,17,18).
What are the key properties of 6-(piperidin-1-ylmethyl)pteridine-2,4-diamine?
6-(piperidin-1-ylmethyl)pteridine-2,4-diamine has a molecular weight of 259.32 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(piperidin-1-ylmethyl)pteridine-2,4-diamine is sourced from PubChem (CID 167878775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).