2-morpholin-4-yl-1H-pyrimidin-6-one

C8H11N3O2 — CID 1404213

IUPAC2-morpholin-4-yl-1H-pyrimidin-6-one
SMILESO=c1ccnc(N2CCOCC2)[nH]1
InChIInChI=1S/C8H11N3O2/c12-7-1-2-9-8(10-7)11-3-5-13-6-4-11/h1-2H,3-6H2,(H,9,10,12)
InChIKeyKWNBVCKOPJXOIC-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.39
Rot. Bonds1

About 2-morpholin-4-yl-1H-pyrimidin-6-one

2-morpholin-4-yl-1H-pyrimidin-6-one (PubChem CID 1404213) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-morpholin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-morpholin-4-yl-1H-pyrimidin-6-one
PubChem CID1404213
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name2-morpholin-4-yl-1H-pyrimidin-6-one
SMILESO=c1ccnc(N2CCOCC2)[nH]1
InChIInChI=1S/C8H11N3O2/c12-7-1-2-9-8(10-7)11-3-5-13-6-4-11/h1-2H,3-6H2,(H,9,10,12)
InChIKeyKWNBVCKOPJXOIC-UHFFFAOYSA-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 ≤ 500181.19
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-morpholin-4-yl-1H-pyrimidin-6-one (CID 1404213) is 2-morpholin-4-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-morpholin-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-morpholin-4-yl-1H-pyrimidin-6-one is O=c1ccnc(N2CCOCC2)[nH]1.
What is the InChIKey of 2-morpholin-4-yl-1H-pyrimidin-6-one?
The InChIKey is KWNBVCKOPJXOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c12-7-1-2-9-8(10-7)11-3-5-13-6-4-11/h1-2H,3-6H2,(H,9,10,12).
What are the key properties of 2-morpholin-4-yl-1H-pyrimidin-6-one?
2-morpholin-4-yl-1H-pyrimidin-6-one has a molecular weight of 181.19 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 2-morpholin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 1404213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).