2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)-N,N-dimethylacetamide

C8H11N3O3 — CID 67282633

IUPAC2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1nc(O)cc(=O)[nH]1
InChIInChI=1S/C8H11N3O3/c1-11(2)8(14)3-5-9-6(12)4-7(13)10-5/h4H,3H2,1-2H3,(H2,9,10,12,13)
InChIKeyXLDNWGPOWHTTOS-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.89
Rot. Bonds2

About 2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)-N,N-dimethylacetamide

2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)-N,N-dimethylacetamide (PubChem CID 67282633) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)-N,N-dimethylacetamide
PubChem CID67282633
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1nc(O)cc(=O)[nH]1
InChIInChI=1S/C8H11N3O3/c1-11(2)8(14)3-5-9-6(12)4-7(13)10-5/h4H,3H2,1-2H3,(H2,9,10,12,13)
InChIKeyXLDNWGPOWHTTOS-UHFFFAOYSA-N
XLogP-0.89
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)-N,N-dimethylacetamide?
The IUPAC name of 2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)-N,N-dimethylacetamide (CID 67282633) is 2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)-N,N-dimethylacetamide is CN(C)C(=O)Cc1nc(O)cc(=O)[nH]1.
What is the InChIKey of 2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)-N,N-dimethylacetamide?
The InChIKey is XLDNWGPOWHTTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-11(2)8(14)3-5-9-6(12)4-7(13)10-5/h4H,3H2,1-2H3,(H2,9,10,12,13).
What are the key properties of 2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)-N,N-dimethylacetamide?
2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)-N,N-dimethylacetamide has a molecular weight of 197.19 g/mol, XLogP of -0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)-N,N-dimethylacetamide is sourced from PubChem (CID 67282633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).