4-butoxy-7-tert-butylpteridin-2-amine

C14H21N5O — CID 86173110

IUPAC4-butoxy-7-tert-butylpteridin-2-amine
SMILESCCCCOc1nc(N)nc2nc(C(C)(C)C)cnc12
InChIInChI=1S/C14H21N5O/c1-5-6-7-20-12-10-11(18-13(15)19-12)17-9(8-16-10)14(2,3)4/h8H,5-7H2,1-4H3,(H2,15,17,18,19)
InChIKeyXNMGKOWJPUBBIJ-UHFFFAOYSA-N
MW275.36 g/mol
LogP2.48
Rot. Bonds4

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

4-butoxy-7-tert-butylpteridin-2-amine (PubChem CID 86173110) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 4-butoxy-7-tert-butylpteridin-2-amine.

Molecular Properties

Compound Name4-butoxy-7-tert-butylpteridin-2-amine
PubChem CID86173110
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name4-butoxy-7-tert-butylpteridin-2-amine
SMILESCCCCOc1nc(N)nc2nc(C(C)(C)C)cnc12
InChIInChI=1S/C14H21N5O/c1-5-6-7-20-12-10-11(18-13(15)19-12)17-9(8-16-10)14(2,3)4/h8H,5-7H2,1-4H3,(H2,15,17,18,19)
InChIKeyXNMGKOWJPUBBIJ-UHFFFAOYSA-N
XLogP2.48
TPSA86.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 52.48
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-tert-butylpteridin-2-amine?
The IUPAC name of 4-butoxy-7-tert-butylpteridin-2-amine (CID 86173110) is 4-butoxy-7-tert-butylpteridin-2-amine.
What is the SMILES notation for 4-butoxy-7-tert-butylpteridin-2-amine?
The canonical SMILES for 4-butoxy-7-tert-butylpteridin-2-amine is CCCCOc1nc(N)nc2nc(C(C)(C)C)cnc12.
What is the InChIKey of 4-butoxy-7-tert-butylpteridin-2-amine?
The InChIKey is XNMGKOWJPUBBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-5-6-7-20-12-10-11(18-13(15)19-12)17-9(8-16-10)14(2,3)4/h8H,5-7H2,1-4H3,(H2,15,17,18,19).
What are the key properties of 4-butoxy-7-tert-butylpteridin-2-amine?
4-butoxy-7-tert-butylpteridin-2-amine has a molecular weight of 275.36 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-7-tert-butylpteridin-2-amine is sourced from PubChem (CID 86173110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).