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

C9H15N3O3 — CID 114586311

IUPAC5-methoxy-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one
SMILESCNCC(C)Oc1nc[nH]c(=O)c1OC
InChIInChI=1S/C9H15N3O3/c1-6(4-10-2)15-9-7(14-3)8(13)11-5-12-9/h5-6,10H,4H2,1-3H3,(H,11,12,13)
InChIKeyGACHJXYLFXGYEE-UHFFFAOYSA-N
MW213.24 g/mol
LogP-0.23
Rot. Bonds5

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

5-methoxy-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one (PubChem CID 114586311) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 5-methoxy-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one
PubChem CID114586311
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name5-methoxy-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one
SMILESCNCC(C)Oc1nc[nH]c(=O)c1OC
InChIInChI=1S/C9H15N3O3/c1-6(4-10-2)15-9-7(14-3)8(13)11-5-12-9/h5-6,10H,4H2,1-3H3,(H,11,12,13)
InChIKeyGACHJXYLFXGYEE-UHFFFAOYSA-N
XLogP-0.23
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
5-methoxy-4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one
CID 136975607
5-butoxy-4-hydroxy-1H-pyrimidin-6-one
CID 69937300
5-ethoxy-4-hydroxy-1H-pyrimidin-6-one
CID 130718959
4-(butan-2-ylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136973502
5-methoxy-4-[methyl(propyl)amino]-1H-pyrimidin-6-one
CID 137009086
ethane;5-propoxy-1H-pyrimidin-6-one
CID 172330002
4-[2-[cyclopropyl(methyl)amino]ethoxy]-5-methoxy-1H-pyrimidin-6-one
CID 102741498

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one (CID 114586311) is 5-methoxy-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one is CNCC(C)Oc1nc[nH]c(=O)c1OC.
What is the InChIKey of 5-methoxy-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one?
The InChIKey is GACHJXYLFXGYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-6(4-10-2)15-9-7(14-3)8(13)11-5-12-9/h5-6,10H,4H2,1-3H3,(H,11,12,13).
What are the key properties of 5-methoxy-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one?
5-methoxy-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one has a molecular weight of 213.24 g/mol, XLogP of -0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 114586311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).