4-methoxy-5-methyl-2-[1-(methylamino)ethyl]-1H-pyrimidin-6-one

C9H15N3O2 — CID 105450683

IUPAC4-methoxy-5-methyl-2-[1-(methylamino)ethyl]-1H-pyrimidin-6-one
SMILESCNC(C)c1nc(OC)c(C)c(=O)[nH]1
InChIInChI=1S/C9H15N3O2/c1-5-8(13)11-7(6(2)10-3)12-9(5)14-4/h6,10H,1-4H3,(H,11,12,13)
InChIKeySVHCHBMNOGOBHO-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.37
Rot. Bonds3

About 4-methoxy-5-methyl-2-[1-(methylamino)ethyl]-1H-pyrimidin-6-one

4-methoxy-5-methyl-2-[1-(methylamino)ethyl]-1H-pyrimidin-6-one (PubChem CID 105450683) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-methoxy-5-methyl-2-[1-(methylamino)ethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methoxy-5-methyl-2-[1-(methylamino)ethyl]-1H-pyrimidin-6-one
PubChem CID105450683
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name4-methoxy-5-methyl-2-[1-(methylamino)ethyl]-1H-pyrimidin-6-one
SMILESCNC(C)c1nc(OC)c(C)c(=O)[nH]1
InChIInChI=1S/C9H15N3O2/c1-5-8(13)11-7(6(2)10-3)12-9(5)14-4/h6,10H,1-4H3,(H,11,12,13)
InChIKeySVHCHBMNOGOBHO-UHFFFAOYSA-N
XLogP0.37
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 148774555
2-(1-aminoethyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 63553557
4-hydroxy-5-methyl-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 63553742
2-(1-Aminoethyl)-6-hydroxy-5-methyl-3,4-dihydropyrimidin-4-one
CID 63553914
2-[(cyclopropylamino)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 63554288
2-(2-aminopropyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 63554646
2-(1-Aminopropyl)-5-ethyl-6-hydroxypyrimidin-4(3H)-one
CID 63554812
2-(1-Aminopropyl)-6-hydroxy-5-methylpyrimidin-4(3H)-one
CID 63555002
2-(1-aminobutyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 63555531
2-(1-amino-2-methylpropyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 63555878
6-Hydroxy-5-methyl-2-[(methylamino)methyl]-3,4-dihydropyrimidin-4-one
CID 63556049
2-(ethylaminomethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 63556232

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-methyl-2-[1-(methylamino)ethyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-methoxy-5-methyl-2-[1-(methylamino)ethyl]-1H-pyrimidin-6-one (CID 105450683) is 4-methoxy-5-methyl-2-[1-(methylamino)ethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methoxy-5-methyl-2-[1-(methylamino)ethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methoxy-5-methyl-2-[1-(methylamino)ethyl]-1H-pyrimidin-6-one is CNC(C)c1nc(OC)c(C)c(=O)[nH]1.
What is the InChIKey of 4-methoxy-5-methyl-2-[1-(methylamino)ethyl]-1H-pyrimidin-6-one?
The InChIKey is SVHCHBMNOGOBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-5-8(13)11-7(6(2)10-3)12-9(5)14-4/h6,10H,1-4H3,(H,11,12,13).
What are the key properties of 4-methoxy-5-methyl-2-[1-(methylamino)ethyl]-1H-pyrimidin-6-one?
4-methoxy-5-methyl-2-[1-(methylamino)ethyl]-1H-pyrimidin-6-one has a molecular weight of 197.24 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-methyl-2-[1-(methylamino)ethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 105450683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).