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

C8H13N3O2 — CID 105440518

IUPAC4-methoxy-2-[1-(methylamino)ethyl]-1H-pyrimidin-6-one
SMILESCNC(C)c1nc(OC)cc(=O)[nH]1
InChIInChI=1S/C8H13N3O2/c1-5(9-2)8-10-6(12)4-7(11-8)13-3/h4-5,9H,1-3H3,(H,10,11,12)
InChIKeyITZOFKKYICNMIN-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.06
Rot. Bonds3

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

4-methoxy-2-[1-(methylamino)ethyl]-1H-pyrimidin-6-one (PubChem CID 105440518) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 4-methoxy-2-[1-(methylamino)ethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methoxy-2-[1-(methylamino)ethyl]-1H-pyrimidin-6-one
PubChem CID105440518
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name4-methoxy-2-[1-(methylamino)ethyl]-1H-pyrimidin-6-one
SMILESCNC(C)c1nc(OC)cc(=O)[nH]1
InChIInChI=1S/C8H13N3O2/c1-5(9-2)8-10-6(12)4-7(11-8)13-3/h4-5,9H,1-3H3,(H,10,11,12)
InChIKeyITZOFKKYICNMIN-UHFFFAOYSA-N
XLogP0.06
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-(6-Methyl-4-oxo-1,4-dihydropyrimidin-2-yl)ethyl)acetamide
CID 136245430
2-[[di(propan-2-yl)amino]methyl]-4-hydroxy-1H-pyrimidin-6-one
CID 67282636
4-methoxy-2-(methylaminomethyl)-1H-pyrimidin-6-one
CID 89301087
2-ethyl-4-methoxy-1H-pyrimidin-6-one
CID 103846153
4-hydroxy-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 63553741
2-(1-Aminoethyl)-6-hydroxypyrimidin-4(3h)-one
CID 63553913
2-[(cyclopropylamino)methyl]-4-hydroxy-1H-pyrimidin-6-one
CID 63554287
2-(1-Aminopropyl)pyrimidine-4,6-diol
CID 63555001
2-(1-aminobutyl)-4-hydroxy-1H-pyrimidin-6-one
CID 63555530
2-(1-amino-2-methylpropyl)-4-hydroxy-1H-pyrimidin-6-one
CID 63555877
4-[3-(dimethylamino)propoxy]-2-ethyl-1H-pyrimidin-6-one
CID 103241443
4-[2-[di(propan-2-yl)amino]ethoxy]-2-ethyl-1H-pyrimidin-6-one
CID 103241880

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[1-(methylamino)ethyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-methoxy-2-[1-(methylamino)ethyl]-1H-pyrimidin-6-one (CID 105440518) is 4-methoxy-2-[1-(methylamino)ethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methoxy-2-[1-(methylamino)ethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methoxy-2-[1-(methylamino)ethyl]-1H-pyrimidin-6-one is CNC(C)c1nc(OC)cc(=O)[nH]1.
What is the InChIKey of 4-methoxy-2-[1-(methylamino)ethyl]-1H-pyrimidin-6-one?
The InChIKey is ITZOFKKYICNMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-5(9-2)8-10-6(12)4-7(11-8)13-3/h4-5,9H,1-3H3,(H,10,11,12).
What are the key properties of 4-methoxy-2-[1-(methylamino)ethyl]-1H-pyrimidin-6-one?
4-methoxy-2-[1-(methylamino)ethyl]-1H-pyrimidin-6-one has a molecular weight of 183.21 g/mol, XLogP of 0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[1-(methylamino)ethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 105440518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).