4-hydroxy-2-[(3S)-3-methylmorpholin-4-yl]-1H-pyrimidin-6-one

C9H13N3O3 — CID 118436105

IUPAC4-hydroxy-2-[(3S)-3-methylmorpholin-4-yl]-1H-pyrimidin-6-one
SMILESC[C@H]1COCCN1c1nc(O)cc(=O)[nH]1
InChIInChI=1S/C9H13N3O3/c1-6-5-15-3-2-12(6)9-10-7(13)4-8(14)11-9/h4,6H,2-3,5H2,1H3,(H2,10,11,13,14)/t6-/m0/s1
InChIKeyKIZJCDBPFZWRDS-LURJTMIESA-N
MW211.22 g/mol
LogP-0.30
Rot. Bonds1

About 4-hydroxy-2-[(3S)-3-methylmorpholin-4-yl]-1H-pyrimidin-6-one

4-hydroxy-2-[(3S)-3-methylmorpholin-4-yl]-1H-pyrimidin-6-one (PubChem CID 118436105) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 4-hydroxy-2-[(3S)-3-methylmorpholin-4-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-[(3S)-3-methylmorpholin-4-yl]-1H-pyrimidin-6-one
PubChem CID118436105
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name4-hydroxy-2-[(3S)-3-methylmorpholin-4-yl]-1H-pyrimidin-6-one
SMILESC[C@H]1COCCN1c1nc(O)cc(=O)[nH]1
InChIInChI=1S/C9H13N3O3/c1-6-5-15-3-2-12(6)9-10-7(13)4-8(14)11-9/h4,6H,2-3,5H2,1H3,(H2,10,11,13,14)/t6-/m0/s1
InChIKeyKIZJCDBPFZWRDS-LURJTMIESA-N
XLogP-0.30
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[(3S)-3-methylmorpholin-4-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-[(3S)-3-methylmorpholin-4-yl]-1H-pyrimidin-6-one (CID 118436105) is 4-hydroxy-2-[(3S)-3-methylmorpholin-4-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-[(3S)-3-methylmorpholin-4-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-[(3S)-3-methylmorpholin-4-yl]-1H-pyrimidin-6-one is C[C@H]1COCCN1c1nc(O)cc(=O)[nH]1.
What is the InChIKey of 4-hydroxy-2-[(3S)-3-methylmorpholin-4-yl]-1H-pyrimidin-6-one?
The InChIKey is KIZJCDBPFZWRDS-LURJTMIESA-N. The full InChI is InChI=1S/C9H13N3O3/c1-6-5-15-3-2-12(6)9-10-7(13)4-8(14)11-9/h4,6H,2-3,5H2,1H3,(H2,10,11,13,14)/t6-/m0/s1.
What are the key properties of 4-hydroxy-2-[(3S)-3-methylmorpholin-4-yl]-1H-pyrimidin-6-one?
4-hydroxy-2-[(3S)-3-methylmorpholin-4-yl]-1H-pyrimidin-6-one has a molecular weight of 211.22 g/mol, XLogP of -0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-[(3S)-3-methylmorpholin-4-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 118436105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).