N-(4-methoxy-6-methylpyrimidin-2-yl)-N-methylacetamide

C9H13N3O2 — CID 911086

IUPACN-(4-methoxy-6-methylpyrimidin-2-yl)-N-methylacetamide
SMILESCOc1cc(C)nc(N(C)C(C)=O)n1
InChIInChI=1S/C9H13N3O2/c1-6-5-8(14-4)11-9(10-6)12(3)7(2)13/h5H,1-4H3
InChIKeyGTHFIEFOTRNHIU-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.78
Rot. Bonds2

About N-(4-methoxy-6-methylpyrimidin-2-yl)-N-methylacetamide

N-(4-methoxy-6-methylpyrimidin-2-yl)-N-methylacetamide (PubChem CID 911086) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is N-(4-methoxy-6-methylpyrimidin-2-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(4-methoxy-6-methylpyrimidin-2-yl)-N-methylacetamide
PubChem CID911086
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC NameN-(4-methoxy-6-methylpyrimidin-2-yl)-N-methylacetamide
SMILESCOc1cc(C)nc(N(C)C(C)=O)n1
InChIInChI=1S/C9H13N3O2/c1-6-5-8(14-4)11-9(10-6)12(3)7(2)13/h5H,1-4H3
InChIKeyGTHFIEFOTRNHIU-UHFFFAOYSA-N
XLogP0.78
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-6-methylpyrimidin-2-yl)-N-methylacetamide?
The IUPAC name of N-(4-methoxy-6-methylpyrimidin-2-yl)-N-methylacetamide (CID 911086) is N-(4-methoxy-6-methylpyrimidin-2-yl)-N-methylacetamide.
What is the SMILES notation for N-(4-methoxy-6-methylpyrimidin-2-yl)-N-methylacetamide?
The canonical SMILES for N-(4-methoxy-6-methylpyrimidin-2-yl)-N-methylacetamide is COc1cc(C)nc(N(C)C(C)=O)n1.
What is the InChIKey of N-(4-methoxy-6-methylpyrimidin-2-yl)-N-methylacetamide?
The InChIKey is GTHFIEFOTRNHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-6-5-8(14-4)11-9(10-6)12(3)7(2)13/h5H,1-4H3.
What are the key properties of N-(4-methoxy-6-methylpyrimidin-2-yl)-N-methylacetamide?
N-(4-methoxy-6-methylpyrimidin-2-yl)-N-methylacetamide has a molecular weight of 195.22 g/mol, XLogP of 0.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-6-methylpyrimidin-2-yl)-N-methylacetamide is sourced from PubChem (CID 911086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).