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

C8H13N3O3 — CID 114586301

IUPAC5-methoxy-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one
SMILESCNCCOc1nc[nH]c(=O)c1OC
InChIInChI=1S/C8H13N3O3/c1-9-3-4-14-8-6(13-2)7(12)10-5-11-8/h5,9H,3-4H2,1-2H3,(H,10,11,12)
InChIKeyFOBKQLYBTAQFFC-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.62
Rot. Bonds5

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

5-methoxy-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one (PubChem CID 114586301) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is 5-methoxy-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one
PubChem CID114586301
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name5-methoxy-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one
SMILESCNCCOc1nc[nH]c(=O)c1OC
InChIInChI=1S/C8H13N3O3/c1-9-3-4-14-8-6(13-2)7(12)10-5-11-8/h5,9H,3-4H2,1-2H3,(H,10,11,12)
InChIKeyFOBKQLYBTAQFFC-UHFFFAOYSA-N
XLogP-0.62
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-Pyrimidinol, 5-ethoxy-
CID 3050570
5-Methoxypyrimidin-4-ol
CID 581046
6-Hydroxy-5-methoxypyrimidin-4(3H)-one
CID 14960368
5-methoxy-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one
CID 103240548
5-methoxy-4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyrimidin-6-one
CID 103241789
4-(2,2-difluoroethoxy)-5-methoxy-1H-pyrimidin-6-one
CID 103241904
5-methoxy-4-(4,4,4-trifluorobutoxy)-1H-pyrimidin-6-one
CID 103241914
5-methoxy-4-(3,3,3-trifluoropropoxy)-1H-pyrimidin-6-one
CID 103241926
5-methoxy-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one
CID 113792594
4-[2-(2,2-difluoroethoxy)ethylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136896829
5-methoxy-4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one
CID 136975607
5-methoxy-4-[2-(2,2,2-trifluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136975766

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one (CID 114586301) is 5-methoxy-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one is CNCCOc1nc[nH]c(=O)c1OC.
What is the InChIKey of 5-methoxy-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one?
The InChIKey is FOBKQLYBTAQFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-9-3-4-14-8-6(13-2)7(12)10-5-11-8/h5,9H,3-4H2,1-2H3,(H,10,11,12).
What are the key properties of 5-methoxy-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one?
5-methoxy-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one has a molecular weight of 199.21 g/mol, XLogP of -0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 114586301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).