2-(2-butyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N,N-dimethylacetamide

C13H21N3O2 — CID 135741921

IUPAC2-(2-butyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N,N-dimethylacetamide
SMILESCCCCc1nc(C)c(CC(=O)N(C)C)c(=O)[nH]1
InChIInChI=1S/C13H21N3O2/c1-5-6-7-11-14-9(2)10(13(18)15-11)8-12(17)16(3)4/h5-8H2,1-4H3,(H,14,15,18)
InChIKeyOAMDXZTUOHORAO-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.05
Rot. Bonds5

About 2-(2-butyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N,N-dimethylacetamide

2-(2-butyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N,N-dimethylacetamide (PubChem CID 135741921) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(2-butyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(2-butyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N,N-dimethylacetamide
PubChem CID135741921
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-(2-butyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N,N-dimethylacetamide
SMILESCCCCc1nc(C)c(CC(=O)N(C)C)c(=O)[nH]1
InChIInChI=1S/C13H21N3O2/c1-5-6-7-11-14-9(2)10(13(18)15-11)8-12(17)16(3)4/h5-8H2,1-4H3,(H,14,15,18)
InChIKeyOAMDXZTUOHORAO-UHFFFAOYSA-N
XLogP1.05
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-butyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N,N-dimethylacetamide?
The IUPAC name of 2-(2-butyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N,N-dimethylacetamide (CID 135741921) is 2-(2-butyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(2-butyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(2-butyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N,N-dimethylacetamide is CCCCc1nc(C)c(CC(=O)N(C)C)c(=O)[nH]1.
What is the InChIKey of 2-(2-butyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N,N-dimethylacetamide?
The InChIKey is OAMDXZTUOHORAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-5-6-7-11-14-9(2)10(13(18)15-11)8-12(17)16(3)4/h5-8H2,1-4H3,(H,14,15,18).
What are the key properties of 2-(2-butyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N,N-dimethylacetamide?
2-(2-butyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N,N-dimethylacetamide has a molecular weight of 251.33 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N,N-dimethylacetamide is sourced from PubChem (CID 135741921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).