3-morpholin-4-ylpyrimidin-4-one

C8H11N3O2 — CID 154078202

IUPAC3-morpholin-4-ylpyrimidin-4-one
SMILESO=c1ccncn1N1CCOCC1
InChIInChI=1S/C8H11N3O2/c12-8-1-2-9-7-11(8)10-3-5-13-6-4-10/h1-2,7H,3-6H2
InChIKeyWDCNIEXMUSLYAC-UHFFFAOYSA-N
MW181.20 g/mol
LogP-0.79
Rot. Bonds1

About 3-morpholin-4-ylpyrimidin-4-one

3-morpholin-4-ylpyrimidin-4-one (PubChem CID 154078202) has the molecular formula C8H11N3O2 and a molecular weight of 181.20 g/mol. Its IUPAC name is 3-morpholin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name3-morpholin-4-ylpyrimidin-4-one
PubChem CID154078202
Molecular FormulaC8H11N3O2
Molecular Weight181.20 g/mol
Exact Mass181.09
IUPAC Name3-morpholin-4-ylpyrimidin-4-one
SMILESO=c1ccncn1N1CCOCC1
InChIInChI=1S/C8H11N3O2/c12-8-1-2-9-7-11(8)10-3-5-13-6-4-10/h1-2,7H,3-6H2
InChIKeyWDCNIEXMUSLYAC-UHFFFAOYSA-N
XLogP-0.79
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 5-0.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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(5Z)-3-morpholin-4-yl-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2029627
1-morpholin-4-yl-2-sulfanylidenepyrimidin-4-one
CID 83025175
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CID 83019703
4-(4-pyridin-4-ylphenyl)morpholine
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2-morpholin-4-ylisoindole-1,3-dione
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2-(1-morpholin-4-yl-1-oxopropan-2-yl)-6-pyridin-4-ylpyridazin-3-one
CID 121101087
1-morpholin-4-ylpyrazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylpyrimidin-4-one?
The IUPAC name of 3-morpholin-4-ylpyrimidin-4-one (CID 154078202) is 3-morpholin-4-ylpyrimidin-4-one.
What is the SMILES notation for 3-morpholin-4-ylpyrimidin-4-one?
The canonical SMILES for 3-morpholin-4-ylpyrimidin-4-one is O=c1ccncn1N1CCOCC1.
What is the InChIKey of 3-morpholin-4-ylpyrimidin-4-one?
The InChIKey is WDCNIEXMUSLYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c12-8-1-2-9-7-11(8)10-3-5-13-6-4-10/h1-2,7H,3-6H2.
What are the key properties of 3-morpholin-4-ylpyrimidin-4-one?
3-morpholin-4-ylpyrimidin-4-one has a molecular weight of 181.20 g/mol, XLogP of -0.79, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylpyrimidin-4-one is sourced from PubChem (CID 154078202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).