4-butoxy-7-butylpteridin-2-amine

C14H21N5O — CID 86173105

IUPAC4-butoxy-7-butylpteridin-2-amine
SMILESCCCCOc1nc(N)nc2nc(CCCC)cnc12
InChIInChI=1S/C14H21N5O/c1-3-5-7-10-9-16-11-12(17-10)18-14(15)19-13(11)20-8-6-4-2/h9H,3-8H2,1-2H3,(H2,15,17,18,19)
InChIKeyKVCXTKOGWDLBCF-UHFFFAOYSA-N
MW275.36 g/mol
LogP2.52
Rot. Bonds7

About 4-butoxy-7-butylpteridin-2-amine

4-butoxy-7-butylpteridin-2-amine (PubChem CID 86173105) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 4-butoxy-7-butylpteridin-2-amine.

Molecular Properties

Compound Name4-butoxy-7-butylpteridin-2-amine
PubChem CID86173105
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name4-butoxy-7-butylpteridin-2-amine
SMILESCCCCOc1nc(N)nc2nc(CCCC)cnc12
InChIInChI=1S/C14H21N5O/c1-3-5-7-10-9-16-11-12(17-10)18-14(15)19-13(11)20-8-6-4-2/h9H,3-8H2,1-2H3,(H2,15,17,18,19)
InChIKeyKVCXTKOGWDLBCF-UHFFFAOYSA-N
XLogP2.52
TPSA86.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
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 4-butoxy-7-butylpteridin-2-amine?
The IUPAC name of 4-butoxy-7-butylpteridin-2-amine (CID 86173105) is 4-butoxy-7-butylpteridin-2-amine.
What is the SMILES notation for 4-butoxy-7-butylpteridin-2-amine?
The canonical SMILES for 4-butoxy-7-butylpteridin-2-amine is CCCCOc1nc(N)nc2nc(CCCC)cnc12.
What is the InChIKey of 4-butoxy-7-butylpteridin-2-amine?
The InChIKey is KVCXTKOGWDLBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-3-5-7-10-9-16-11-12(17-10)18-14(15)19-13(11)20-8-6-4-2/h9H,3-8H2,1-2H3,(H2,15,17,18,19).
What are the key properties of 4-butoxy-7-butylpteridin-2-amine?
4-butoxy-7-butylpteridin-2-amine has a molecular weight of 275.36 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-7-butylpteridin-2-amine is sourced from PubChem (CID 86173105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).