4-(3,3-dideuteriomorpholin-4-yl)-1H-pyrimidin-6-one

C8H11N3O2 — CID 137138532

IUPAC4-(3,3-dideuteriomorpholin-4-yl)-1H-pyrimidin-6-one
SMILES[2H]C1([2H])COCCN1c1cc(=O)[nH]cn1
InChIInChI=1S/C8H11N3O2/c12-8-5-7(9-6-10-8)11-1-3-13-4-2-11/h5-6H,1-4H2,(H,9,10,12)/i1D2
InChIKeyUTXBNBRGUYCFNT-DICFDUPASA-N
MW183.21 g/mol
LogP-0.39
Rot. Bonds1

About 4-(3,3-dideuteriomorpholin-4-yl)-1H-pyrimidin-6-one

4-(3,3-dideuteriomorpholin-4-yl)-1H-pyrimidin-6-one (PubChem CID 137138532) has the molecular formula C8H11N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 4-(3,3-dideuteriomorpholin-4-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3,3-dideuteriomorpholin-4-yl)-1H-pyrimidin-6-one
PubChem CID137138532
Molecular FormulaC8H11N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name4-(3,3-dideuteriomorpholin-4-yl)-1H-pyrimidin-6-one
SMILES[2H]C1([2H])COCCN1c1cc(=O)[nH]cn1
InChIInChI=1S/C8H11N3O2/c12-8-5-7(9-6-10-8)11-1-3-13-4-2-11/h5-6H,1-4H2,(H,9,10,12)/i1D2
InChIKeyUTXBNBRGUYCFNT-DICFDUPASA-N
XLogP-0.39
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-6-morpholin-4-ylpyrimidin-4(3H)-one
CID 135512317
2-(dimethylamino)-6-morpholinopyrimidin-4(3H)-one
CID 136188794
2-Morpholin-4-yl-pyrimidin-4-ol
CID 1404213
6-Amino-2-(morpholin-4-yl)pyrimidin-4(1H)-one
CID 135587491
6-Morpholinopyrimidin-4-ol
CID 136128233
5-fluoro-4-morpholin-4-yl-1H-pyrimidin-6-one
CID 150847759
2-fluoro-4-morpholin-4-yl-1H-pyrimidin-6-one
CID 153909156
4-[2-(fluoromethyl)morpholin-4-yl]-1H-pyrimidin-6-one
CID 157738230
4-Morpholin-4-yl-6-oxopyrimidine-1-carboxamide
CID 123522893
4-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136896834
4-[2-(2,2,2-trifluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136956681
6-Chloro-2-(4-morpholinyl)-4-pyrimidinol
CID 135502877

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dideuteriomorpholin-4-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(3,3-dideuteriomorpholin-4-yl)-1H-pyrimidin-6-one (CID 137138532) is 4-(3,3-dideuteriomorpholin-4-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3,3-dideuteriomorpholin-4-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3,3-dideuteriomorpholin-4-yl)-1H-pyrimidin-6-one is [2H]C1([2H])COCCN1c1cc(=O)[nH]cn1.
What is the InChIKey of 4-(3,3-dideuteriomorpholin-4-yl)-1H-pyrimidin-6-one?
The InChIKey is UTXBNBRGUYCFNT-DICFDUPASA-N. The full InChI is InChI=1S/C8H11N3O2/c12-8-5-7(9-6-10-8)11-1-3-13-4-2-11/h5-6H,1-4H2,(H,9,10,12)/i1D2.
What are the key properties of 4-(3,3-dideuteriomorpholin-4-yl)-1H-pyrimidin-6-one?
4-(3,3-dideuteriomorpholin-4-yl)-1H-pyrimidin-6-one has a molecular weight of 183.21 g/mol, XLogP of -0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dideuteriomorpholin-4-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137138532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).