4-[2-(hydroxymethyl)morpholin-4-yl]-1H-pyrimidin-6-one

C9H13N3O3 — CID 136958040

IUPAC4-[2-(hydroxymethyl)morpholin-4-yl]-1H-pyrimidin-6-one
SMILESO=c1cc(N2CCOC(CO)C2)nc[nH]1
InChIInChI=1S/C9H13N3O3/c13-5-7-4-12(1-2-15-7)8-3-9(14)11-6-10-8/h3,6-7,13H,1-2,4-5H2,(H,10,11,14)
InChIKeyFMWWFPDQACUJPT-UHFFFAOYSA-N
MW211.22 g/mol
LogP-1.03
Rot. Bonds2

About 4-[2-(hydroxymethyl)morpholin-4-yl]-1H-pyrimidin-6-one

4-[2-(hydroxymethyl)morpholin-4-yl]-1H-pyrimidin-6-one (PubChem CID 136958040) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 4-[2-(hydroxymethyl)morpholin-4-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(hydroxymethyl)morpholin-4-yl]-1H-pyrimidin-6-one
PubChem CID136958040
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name4-[2-(hydroxymethyl)morpholin-4-yl]-1H-pyrimidin-6-one
SMILESO=c1cc(N2CCOC(CO)C2)nc[nH]1
InChIInChI=1S/C9H13N3O3/c13-5-7-4-12(1-2-15-7)8-3-9(14)11-6-10-8/h3,6-7,13H,1-2,4-5H2,(H,10,11,14)
InChIKeyFMWWFPDQACUJPT-UHFFFAOYSA-N
XLogP-1.03
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-Hydroxypiperidin-1-yl)-3,4-dihydropyrimidin-4-one
CID 136957342
6-Morpholinopyrimidin-4-ol
CID 136128233
4-[2-(fluoromethyl)morpholin-4-yl]-1H-pyrimidin-6-one
CID 157738230
4-(3,3-dideuteriomorpholin-4-yl)-1H-pyrimidin-6-one
CID 137138532
4-(morpholin-2-ylmethoxy)-1H-pyrimidin-6-one
CID 114586607
4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one
CID 136730527
4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136766527
4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-5-methoxy-1H-pyrimidin-6-one
CID 136783250
4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136783251
2-ethyl-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one
CID 136783252
4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one
CID 136783253
4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one
CID 136783254

Frequently Asked Questions

What is the IUPAC name of 4-[2-(hydroxymethyl)morpholin-4-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(hydroxymethyl)morpholin-4-yl]-1H-pyrimidin-6-one (CID 136958040) is 4-[2-(hydroxymethyl)morpholin-4-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(hydroxymethyl)morpholin-4-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(hydroxymethyl)morpholin-4-yl]-1H-pyrimidin-6-one is O=c1cc(N2CCOC(CO)C2)nc[nH]1.
What is the InChIKey of 4-[2-(hydroxymethyl)morpholin-4-yl]-1H-pyrimidin-6-one?
The InChIKey is FMWWFPDQACUJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c13-5-7-4-12(1-2-15-7)8-3-9(14)11-6-10-8/h3,6-7,13H,1-2,4-5H2,(H,10,11,14).
What are the key properties of 4-[2-(hydroxymethyl)morpholin-4-yl]-1H-pyrimidin-6-one?
4-[2-(hydroxymethyl)morpholin-4-yl]-1H-pyrimidin-6-one has a molecular weight of 211.22 g/mol, XLogP of -1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(hydroxymethyl)morpholin-4-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136958040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).