4-hydroxy-5-methoxy-2-morpholin-4-yl-1H-pyrimidin-6-one

C9H13N3O4 — CID 168922927

IUPAC4-hydroxy-5-methoxy-2-morpholin-4-yl-1H-pyrimidin-6-one
SMILESCOc1c(O)nc(N2CCOCC2)[nH]c1=O
InChIInChI=1S/C9H13N3O4/c1-15-6-7(13)10-9(11-8(6)14)12-2-4-16-5-3-12/h2-5H2,1H3,(H2,10,11,13,14)
InChIKeyFLIUYYAPYHCLKS-UHFFFAOYSA-N
MW227.22 g/mol
LogP-0.68
Rot. Bonds2

About 4-hydroxy-5-methoxy-2-morpholin-4-yl-1H-pyrimidin-6-one

4-hydroxy-5-methoxy-2-morpholin-4-yl-1H-pyrimidin-6-one (PubChem CID 168922927) has the molecular formula C9H13N3O4 and a molecular weight of 227.22 g/mol. Its IUPAC name is 4-hydroxy-5-methoxy-2-morpholin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-methoxy-2-morpholin-4-yl-1H-pyrimidin-6-one
PubChem CID168922927
Molecular FormulaC9H13N3O4
Molecular Weight227.22 g/mol
Exact Mass227.09
IUPAC Name4-hydroxy-5-methoxy-2-morpholin-4-yl-1H-pyrimidin-6-one
SMILESCOc1c(O)nc(N2CCOCC2)[nH]c1=O
InChIInChI=1S/C9H13N3O4/c1-15-6-7(13)10-9(11-8(6)14)12-2-4-16-5-3-12/h2-5H2,1H3,(H2,10,11,13,14)
InChIKeyFLIUYYAPYHCLKS-UHFFFAOYSA-N
XLogP-0.68
TPSA87.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-methoxy-2-morpholin-4-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-methoxy-2-morpholin-4-yl-1H-pyrimidin-6-one (CID 168922927) is 4-hydroxy-5-methoxy-2-morpholin-4-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-methoxy-2-morpholin-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-methoxy-2-morpholin-4-yl-1H-pyrimidin-6-one is COc1c(O)nc(N2CCOCC2)[nH]c1=O.
What is the InChIKey of 4-hydroxy-5-methoxy-2-morpholin-4-yl-1H-pyrimidin-6-one?
The InChIKey is FLIUYYAPYHCLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4/c1-15-6-7(13)10-9(11-8(6)14)12-2-4-16-5-3-12/h2-5H2,1H3,(H2,10,11,13,14).
What are the key properties of 4-hydroxy-5-methoxy-2-morpholin-4-yl-1H-pyrimidin-6-one?
4-hydroxy-5-methoxy-2-morpholin-4-yl-1H-pyrimidin-6-one has a molecular weight of 227.22 g/mol, XLogP of -0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-methoxy-2-morpholin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 168922927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).