5-amino-3-butyl-2-ethyl-4-methyl-1,2-dihydropyrimidin-6-one

C11H21N3O — CID 174407572

IUPAC5-amino-3-butyl-2-ethyl-4-methyl-1,2-dihydropyrimidin-6-one
SMILESCCCCN1C(C)=C(N)C(=O)NC1CC
InChIInChI=1S/C11H21N3O/c1-4-6-7-14-8(3)10(12)11(15)13-9(14)5-2/h9H,4-7,12H2,1-3H3,(H,13,15)
InChIKeyHRTZKNYVHJJIJO-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.14
Rot. Bonds4

About 5-amino-3-butyl-2-ethyl-4-methyl-1,2-dihydropyrimidin-6-one

5-amino-3-butyl-2-ethyl-4-methyl-1,2-dihydropyrimidin-6-one (PubChem CID 174407572) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 5-amino-3-butyl-2-ethyl-4-methyl-1,2-dihydropyrimidin-6-one.

Molecular Properties

Compound Name5-amino-3-butyl-2-ethyl-4-methyl-1,2-dihydropyrimidin-6-one
PubChem CID174407572
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name5-amino-3-butyl-2-ethyl-4-methyl-1,2-dihydropyrimidin-6-one
SMILESCCCCN1C(C)=C(N)C(=O)NC1CC
InChIInChI=1S/C11H21N3O/c1-4-6-7-14-8(3)10(12)11(15)13-9(14)5-2/h9H,4-7,12H2,1-3H3,(H,13,15)
InChIKeyHRTZKNYVHJJIJO-UHFFFAOYSA-N
XLogP1.14
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-butyl-2-ethyl-4-methyl-1,2-dihydropyrimidin-6-one?
The IUPAC name of 5-amino-3-butyl-2-ethyl-4-methyl-1,2-dihydropyrimidin-6-one (CID 174407572) is 5-amino-3-butyl-2-ethyl-4-methyl-1,2-dihydropyrimidin-6-one.
What is the SMILES notation for 5-amino-3-butyl-2-ethyl-4-methyl-1,2-dihydropyrimidin-6-one?
The canonical SMILES for 5-amino-3-butyl-2-ethyl-4-methyl-1,2-dihydropyrimidin-6-one is CCCCN1C(C)=C(N)C(=O)NC1CC.
What is the InChIKey of 5-amino-3-butyl-2-ethyl-4-methyl-1,2-dihydropyrimidin-6-one?
The InChIKey is HRTZKNYVHJJIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-4-6-7-14-8(3)10(12)11(15)13-9(14)5-2/h9H,4-7,12H2,1-3H3,(H,13,15).
What are the key properties of 5-amino-3-butyl-2-ethyl-4-methyl-1,2-dihydropyrimidin-6-one?
5-amino-3-butyl-2-ethyl-4-methyl-1,2-dihydropyrimidin-6-one has a molecular weight of 211.31 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-butyl-2-ethyl-4-methyl-1,2-dihydropyrimidin-6-one is sourced from PubChem (CID 174407572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).