1-(2-amino-4-butoxypteridin-6-yl)ethanone

C12H15N5O2 — CID 102402627

IUPAC1-(2-amino-4-butoxypteridin-6-yl)ethanone
SMILESCCCCOc1nc(N)nc2ncc(C(C)=O)nc12
InChIInChI=1S/C12H15N5O2/c1-3-4-5-19-11-9-10(16-12(13)17-11)14-6-8(15-9)7(2)18/h6H,3-5H2,1-2H3,(H2,13,14,16,17)
InChIKeyRGPORSFZSVBLBM-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.38
Rot. Bonds5

About 1-(2-amino-4-butoxypteridin-6-yl)ethanone

1-(2-amino-4-butoxypteridin-6-yl)ethanone (PubChem CID 102402627) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 1-(2-amino-4-butoxypteridin-6-yl)ethanone.

Molecular Properties

Compound Name1-(2-amino-4-butoxypteridin-6-yl)ethanone
PubChem CID102402627
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC Name1-(2-amino-4-butoxypteridin-6-yl)ethanone
SMILESCCCCOc1nc(N)nc2ncc(C(C)=O)nc12
InChIInChI=1S/C12H15N5O2/c1-3-4-5-19-11-9-10(16-12(13)17-11)14-6-8(15-9)7(2)18/h6H,3-5H2,1-2H3,(H2,13,14,16,17)
InChIKeyRGPORSFZSVBLBM-UHFFFAOYSA-N
XLogP1.38
TPSA103.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.38
H-Bond Donors ≤ 51
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 1-(2-amino-4-butoxypteridin-6-yl)ethanone?
The IUPAC name of 1-(2-amino-4-butoxypteridin-6-yl)ethanone (CID 102402627) is 1-(2-amino-4-butoxypteridin-6-yl)ethanone.
What is the SMILES notation for 1-(2-amino-4-butoxypteridin-6-yl)ethanone?
The canonical SMILES for 1-(2-amino-4-butoxypteridin-6-yl)ethanone is CCCCOc1nc(N)nc2ncc(C(C)=O)nc12.
What is the InChIKey of 1-(2-amino-4-butoxypteridin-6-yl)ethanone?
The InChIKey is RGPORSFZSVBLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-3-4-5-19-11-9-10(16-12(13)17-11)14-6-8(15-9)7(2)18/h6H,3-5H2,1-2H3,(H2,13,14,16,17).
What are the key properties of 1-(2-amino-4-butoxypteridin-6-yl)ethanone?
1-(2-amino-4-butoxypteridin-6-yl)ethanone has a molecular weight of 261.28 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-butoxypteridin-6-yl)ethanone is sourced from PubChem (CID 102402627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).