5-butyl-2-(dimethylamino)-4-methyl-1H-pyrimidin-6-one

C11H19N3O — CID 135424353

IUPAC5-butyl-2-(dimethylamino)-4-methyl-1H-pyrimidin-6-one
SMILESCCCCc1c(C)nc(N(C)C)[nH]c1=O
InChIInChI=1S/C11H19N3O/c1-5-6-7-9-8(2)12-11(14(3)4)13-10(9)15/h5-7H2,1-4H3,(H,12,13,15)
InChIKeyCJHXCRMKMMBYJQ-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.49
Rot. Bonds4

About 5-butyl-2-(dimethylamino)-4-methyl-1H-pyrimidin-6-one

5-butyl-2-(dimethylamino)-4-methyl-1H-pyrimidin-6-one (PubChem CID 135424353) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 5-butyl-2-(dimethylamino)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-butyl-2-(dimethylamino)-4-methyl-1H-pyrimidin-6-one
PubChem CID135424353
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name5-butyl-2-(dimethylamino)-4-methyl-1H-pyrimidin-6-one
SMILESCCCCc1c(C)nc(N(C)C)[nH]c1=O
InChIInChI=1S/C11H19N3O/c1-5-6-7-9-8(2)12-11(14(3)4)13-10(9)15/h5-7H2,1-4H3,(H,12,13,15)
InChIKeyCJHXCRMKMMBYJQ-UHFFFAOYSA-N
XLogP1.49
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.49
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)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-butyl-2-(dimethylamino)-4-methyl-1H-pyrimidin-6-one (CID 135424353) is 5-butyl-2-(dimethylamino)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-butyl-2-(dimethylamino)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-butyl-2-(dimethylamino)-4-methyl-1H-pyrimidin-6-one is CCCCc1c(C)nc(N(C)C)[nH]c1=O.
What is the InChIKey of 5-butyl-2-(dimethylamino)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is CJHXCRMKMMBYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-5-6-7-9-8(2)12-11(14(3)4)13-10(9)15/h5-7H2,1-4H3,(H,12,13,15).
What are the key properties of 5-butyl-2-(dimethylamino)-4-methyl-1H-pyrimidin-6-one?
5-butyl-2-(dimethylamino)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 209.29 g/mol, XLogP of 1.49, 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)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135424353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).