2-amino-3-butyl-6-ethoxypyrimidin-4-one

C10H17N3O2 — CID 12502638

IUPAC2-amino-3-butyl-6-ethoxypyrimidin-4-one
SMILESCCCCn1c(N)nc(OCC)cc1=O
InChIInChI=1S/C10H17N3O2/c1-3-5-6-13-9(14)7-8(15-4-2)12-10(13)11/h7H,3-6H2,1-2H3,(H2,11,12)
InChIKeyCSFDOMCKQULLGO-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.02
Rot. Bonds5

About 2-amino-3-butyl-6-ethoxypyrimidin-4-one

2-amino-3-butyl-6-ethoxypyrimidin-4-one (PubChem CID 12502638) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-amino-3-butyl-6-ethoxypyrimidin-4-one.

Molecular Properties

Compound Name2-amino-3-butyl-6-ethoxypyrimidin-4-one
PubChem CID12502638
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-amino-3-butyl-6-ethoxypyrimidin-4-one
SMILESCCCCn1c(N)nc(OCC)cc1=O
InChIInChI=1S/C10H17N3O2/c1-3-5-6-13-9(14)7-8(15-4-2)12-10(13)11/h7H,3-6H2,1-2H3,(H2,11,12)
InChIKeyCSFDOMCKQULLGO-UHFFFAOYSA-N
XLogP1.02
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-butyl-6-ethoxypyrimidin-4-one?
The IUPAC name of 2-amino-3-butyl-6-ethoxypyrimidin-4-one (CID 12502638) is 2-amino-3-butyl-6-ethoxypyrimidin-4-one.
What is the SMILES notation for 2-amino-3-butyl-6-ethoxypyrimidin-4-one?
The canonical SMILES for 2-amino-3-butyl-6-ethoxypyrimidin-4-one is CCCCn1c(N)nc(OCC)cc1=O.
What is the InChIKey of 2-amino-3-butyl-6-ethoxypyrimidin-4-one?
The InChIKey is CSFDOMCKQULLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-3-5-6-13-9(14)7-8(15-4-2)12-10(13)11/h7H,3-6H2,1-2H3,(H2,11,12).
What are the key properties of 2-amino-3-butyl-6-ethoxypyrimidin-4-one?
2-amino-3-butyl-6-ethoxypyrimidin-4-one has a molecular weight of 211.26 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-butyl-6-ethoxypyrimidin-4-one is sourced from PubChem (CID 12502638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).