2-amino-6-butoxy-3-methyl-5,6,7,8-tetrahydropteridin-4-one

C11H19N5O2 — CID 70432118

IUPAC2-amino-6-butoxy-3-methyl-5,6,7,8-tetrahydropteridin-4-one
SMILESCCCCOC1CNc2nc(N)n(C)c(=O)c2N1
InChIInChI=1S/C11H19N5O2/c1-3-4-5-18-7-6-13-9-8(14-7)10(17)16(2)11(12)15-9/h7,13-14H,3-6H2,1-2H3,(H2,12,15)
InChIKeyJHHGURXTHKTMLY-UHFFFAOYSA-N
MW253.31 g/mol
LogP0.34
Rot. Bonds4

About 2-amino-6-butoxy-3-methyl-5,6,7,8-tetrahydropteridin-4-one

2-amino-6-butoxy-3-methyl-5,6,7,8-tetrahydropteridin-4-one (PubChem CID 70432118) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-amino-6-butoxy-3-methyl-5,6,7,8-tetrahydropteridin-4-one.

Molecular Properties

Compound Name2-amino-6-butoxy-3-methyl-5,6,7,8-tetrahydropteridin-4-one
PubChem CID70432118
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name2-amino-6-butoxy-3-methyl-5,6,7,8-tetrahydropteridin-4-one
SMILESCCCCOC1CNc2nc(N)n(C)c(=O)c2N1
InChIInChI=1S/C11H19N5O2/c1-3-4-5-18-7-6-13-9-8(14-7)10(17)16(2)11(12)15-9/h7,13-14H,3-6H2,1-2H3,(H2,12,15)
InChIKeyJHHGURXTHKTMLY-UHFFFAOYSA-N
XLogP0.34
TPSA94.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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 2-amino-6-butoxy-3-methyl-5,6,7,8-tetrahydropteridin-4-one?
The IUPAC name of 2-amino-6-butoxy-3-methyl-5,6,7,8-tetrahydropteridin-4-one (CID 70432118) is 2-amino-6-butoxy-3-methyl-5,6,7,8-tetrahydropteridin-4-one.
What is the SMILES notation for 2-amino-6-butoxy-3-methyl-5,6,7,8-tetrahydropteridin-4-one?
The canonical SMILES for 2-amino-6-butoxy-3-methyl-5,6,7,8-tetrahydropteridin-4-one is CCCCOC1CNc2nc(N)n(C)c(=O)c2N1.
What is the InChIKey of 2-amino-6-butoxy-3-methyl-5,6,7,8-tetrahydropteridin-4-one?
The InChIKey is JHHGURXTHKTMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-3-4-5-18-7-6-13-9-8(14-7)10(17)16(2)11(12)15-9/h7,13-14H,3-6H2,1-2H3,(H2,12,15).
What are the key properties of 2-amino-6-butoxy-3-methyl-5,6,7,8-tetrahydropteridin-4-one?
2-amino-6-butoxy-3-methyl-5,6,7,8-tetrahydropteridin-4-one has a molecular weight of 253.31 g/mol, XLogP of 0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-butoxy-3-methyl-5,6,7,8-tetrahydropteridin-4-one is sourced from PubChem (CID 70432118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).