2-amino-5-butyl-3-ethyl-6-methylpyrimidin-4-one

C11H19N3O — CID 13191402

IUPAC2-amino-5-butyl-3-ethyl-6-methylpyrimidin-4-one
SMILESCCCCc1c(C)nc(N)n(CC)c1=O
InChIInChI=1S/C11H19N3O/c1-4-6-7-9-8(3)13-11(12)14(5-2)10(9)15/h4-7H2,1-3H3,(H2,12,13)
InChIKeyQVTYBPHURVJTAQ-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.50
Rot. Bonds4

About 2-amino-5-butyl-3-ethyl-6-methylpyrimidin-4-one

2-amino-5-butyl-3-ethyl-6-methylpyrimidin-4-one (PubChem CID 13191402) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-amino-5-butyl-3-ethyl-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name2-amino-5-butyl-3-ethyl-6-methylpyrimidin-4-one
PubChem CID13191402
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-amino-5-butyl-3-ethyl-6-methylpyrimidin-4-one
SMILESCCCCc1c(C)nc(N)n(CC)c1=O
InChIInChI=1S/C11H19N3O/c1-4-6-7-9-8(3)13-11(12)14(5-2)10(9)15/h4-7H2,1-3H3,(H2,12,13)
InChIKeyQVTYBPHURVJTAQ-UHFFFAOYSA-N
XLogP1.50
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-butyl-3-ethyl-6-methylpyrimidin-4-one?
The IUPAC name of 2-amino-5-butyl-3-ethyl-6-methylpyrimidin-4-one (CID 13191402) is 2-amino-5-butyl-3-ethyl-6-methylpyrimidin-4-one.
What is the SMILES notation for 2-amino-5-butyl-3-ethyl-6-methylpyrimidin-4-one?
The canonical SMILES for 2-amino-5-butyl-3-ethyl-6-methylpyrimidin-4-one is CCCCc1c(C)nc(N)n(CC)c1=O.
What is the InChIKey of 2-amino-5-butyl-3-ethyl-6-methylpyrimidin-4-one?
The InChIKey is QVTYBPHURVJTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-4-6-7-9-8(3)13-11(12)14(5-2)10(9)15/h4-7H2,1-3H3,(H2,12,13).
What are the key properties of 2-amino-5-butyl-3-ethyl-6-methylpyrimidin-4-one?
2-amino-5-butyl-3-ethyl-6-methylpyrimidin-4-one has a molecular weight of 209.29 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-butyl-3-ethyl-6-methylpyrimidin-4-one is sourced from PubChem (CID 13191402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).