1-(4-methoxy-6-methylpyrimidin-5-yl)-2-(methylamino)ethanone

C9H13N3O2 — CID 82657250

IUPAC1-(4-methoxy-6-methylpyrimidin-5-yl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1c(C)ncnc1OC
InChIInChI=1S/C9H13N3O2/c1-6-8(7(13)4-10-2)9(14-3)12-5-11-6/h5,10H,4H2,1-3H3
InChIKeyVZDDITZIWIHPAK-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.20
Rot. Bonds4

About 1-(4-methoxy-6-methylpyrimidin-5-yl)-2-(methylamino)ethanone

1-(4-methoxy-6-methylpyrimidin-5-yl)-2-(methylamino)ethanone (PubChem CID 82657250) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 1-(4-methoxy-6-methylpyrimidin-5-yl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(4-methoxy-6-methylpyrimidin-5-yl)-2-(methylamino)ethanone
PubChem CID82657250
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name1-(4-methoxy-6-methylpyrimidin-5-yl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1c(C)ncnc1OC
InChIInChI=1S/C9H13N3O2/c1-6-8(7(13)4-10-2)9(14-3)12-5-11-6/h5,10H,4H2,1-3H3
InChIKeyVZDDITZIWIHPAK-UHFFFAOYSA-N
XLogP0.20
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-6-methylpyrimidin-5-yl)-2-(methylamino)ethanone?
The IUPAC name of 1-(4-methoxy-6-methylpyrimidin-5-yl)-2-(methylamino)ethanone (CID 82657250) is 1-(4-methoxy-6-methylpyrimidin-5-yl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(4-methoxy-6-methylpyrimidin-5-yl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(4-methoxy-6-methylpyrimidin-5-yl)-2-(methylamino)ethanone is CNCC(=O)c1c(C)ncnc1OC.
What is the InChIKey of 1-(4-methoxy-6-methylpyrimidin-5-yl)-2-(methylamino)ethanone?
The InChIKey is VZDDITZIWIHPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-6-8(7(13)4-10-2)9(14-3)12-5-11-6/h5,10H,4H2,1-3H3.
What are the key properties of 1-(4-methoxy-6-methylpyrimidin-5-yl)-2-(methylamino)ethanone?
1-(4-methoxy-6-methylpyrimidin-5-yl)-2-(methylamino)ethanone has a molecular weight of 195.22 g/mol, XLogP of 0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-6-methylpyrimidin-5-yl)-2-(methylamino)ethanone is sourced from PubChem (CID 82657250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).