5-butyl-2-(dimethylamino)-3-methyl-1,2-dihydropyrimidin-6-one

C11H21N3O — CID 21488454

IUPAC5-butyl-2-(dimethylamino)-3-methyl-1,2-dihydropyrimidin-6-one
SMILESCCCCC1=CN(C)C(N(C)C)NC1=O
InChIInChI=1S/C11H21N3O/c1-5-6-7-9-8-14(4)11(13(2)3)12-10(9)15/h8,11H,5-7H2,1-4H3,(H,12,15)
InChIKeyNLQBHRYTABXOIL-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.97
Rot. Bonds4

About 5-butyl-2-(dimethylamino)-3-methyl-1,2-dihydropyrimidin-6-one

5-butyl-2-(dimethylamino)-3-methyl-1,2-dihydropyrimidin-6-one (PubChem CID 21488454) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 5-butyl-2-(dimethylamino)-3-methyl-1,2-dihydropyrimidin-6-one.

Molecular Properties

Compound Name5-butyl-2-(dimethylamino)-3-methyl-1,2-dihydropyrimidin-6-one
PubChem CID21488454
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name5-butyl-2-(dimethylamino)-3-methyl-1,2-dihydropyrimidin-6-one
SMILESCCCCC1=CN(C)C(N(C)C)NC1=O
InChIInChI=1S/C11H21N3O/c1-5-6-7-9-8-14(4)11(13(2)3)12-10(9)15/h8,11H,5-7H2,1-4H3,(H,12,15)
InChIKeyNLQBHRYTABXOIL-UHFFFAOYSA-N
XLogP0.97
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-(dimethylamino)-3-methyl-1,2-dihydropyrimidin-6-one?
The IUPAC name of 5-butyl-2-(dimethylamino)-3-methyl-1,2-dihydropyrimidin-6-one (CID 21488454) is 5-butyl-2-(dimethylamino)-3-methyl-1,2-dihydropyrimidin-6-one.
What is the SMILES notation for 5-butyl-2-(dimethylamino)-3-methyl-1,2-dihydropyrimidin-6-one?
The canonical SMILES for 5-butyl-2-(dimethylamino)-3-methyl-1,2-dihydropyrimidin-6-one is CCCCC1=CN(C)C(N(C)C)NC1=O.
What is the InChIKey of 5-butyl-2-(dimethylamino)-3-methyl-1,2-dihydropyrimidin-6-one?
The InChIKey is NLQBHRYTABXOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-5-6-7-9-8-14(4)11(13(2)3)12-10(9)15/h8,11H,5-7H2,1-4H3,(H,12,15).
What are the key properties of 5-butyl-2-(dimethylamino)-3-methyl-1,2-dihydropyrimidin-6-one?
5-butyl-2-(dimethylamino)-3-methyl-1,2-dihydropyrimidin-6-one has a molecular weight of 211.31 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-(dimethylamino)-3-methyl-1,2-dihydropyrimidin-6-one is sourced from PubChem (CID 21488454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).