2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)-N-methylacetamide

C9H13N3O3 — CID 79375521

IUPAC2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)-N-methylacetamide
SMILESCNC(=O)Cn1c(OC)nc(C)cc1=O
InChIInChI=1S/C9H13N3O3/c1-6-4-8(14)12(5-7(13)10-2)9(11-6)15-3/h4H,5H2,1-3H3,(H,10,13)
InChIKeyDKRJAUUMJWMFTQ-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.69
Rot. Bonds3

About 2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)-N-methylacetamide

2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)-N-methylacetamide (PubChem CID 79375521) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)-N-methylacetamide
PubChem CID79375521
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)-N-methylacetamide
SMILESCNC(=O)Cn1c(OC)nc(C)cc1=O
InChIInChI=1S/C9H13N3O3/c1-6-4-8(14)12(5-7(13)10-2)9(11-6)15-3/h4H,5H2,1-3H3,(H,10,13)
InChIKeyDKRJAUUMJWMFTQ-UHFFFAOYSA-N
XLogP-0.69
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)-N-methylacetamide?
The IUPAC name of 2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)-N-methylacetamide (CID 79375521) is 2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)-N-methylacetamide.
What is the SMILES notation for 2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)-N-methylacetamide?
The canonical SMILES for 2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)-N-methylacetamide is CNC(=O)Cn1c(OC)nc(C)cc1=O.
What is the InChIKey of 2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)-N-methylacetamide?
The InChIKey is DKRJAUUMJWMFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-6-4-8(14)12(5-7(13)10-2)9(11-6)15-3/h4H,5H2,1-3H3,(H,10,13).
What are the key properties of 2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)-N-methylacetamide?
2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)-N-methylacetamide has a molecular weight of 211.22 g/mol, XLogP of -0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)-N-methylacetamide is sourced from PubChem (CID 79375521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).