2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N,N-diethylacetamide

C12H19N3O2 — CID 60675927

IUPAC2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cc1c(C)nc(=O)[nH]c1C
InChIInChI=1S/C12H19N3O2/c1-5-15(6-2)11(16)7-10-8(3)13-12(17)14-9(10)4/h5-7H2,1-4H3,(H,13,14,17)
InChIKeyBVXCNROJVIZULG-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.80
Rot. Bonds4

About 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N,N-diethylacetamide

2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N,N-diethylacetamide (PubChem CID 60675927) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N,N-diethylacetamide
PubChem CID60675927
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cc1c(C)nc(=O)[nH]c1C
InChIInChI=1S/C12H19N3O2/c1-5-15(6-2)11(16)7-10-8(3)13-12(17)14-9(10)4/h5-7H2,1-4H3,(H,13,14,17)
InChIKeyBVXCNROJVIZULG-UHFFFAOYSA-N
XLogP0.80
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N,N-diethylacetamide?
The IUPAC name of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N,N-diethylacetamide (CID 60675927) is 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N,N-diethylacetamide.
What is the SMILES notation for 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N,N-diethylacetamide?
The canonical SMILES for 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N,N-diethylacetamide is CCN(CC)C(=O)Cc1c(C)nc(=O)[nH]c1C.
What is the InChIKey of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N,N-diethylacetamide?
The InChIKey is BVXCNROJVIZULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-5-15(6-2)11(16)7-10-8(3)13-12(17)14-9(10)4/h5-7H2,1-4H3,(H,13,14,17).
What are the key properties of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N,N-diethylacetamide?
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N,N-diethylacetamide has a molecular weight of 237.30 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N,N-diethylacetamide is sourced from PubChem (CID 60675927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).