2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one

C9H13N3O2 — CID 79077278

IUPAC2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one
SMILESCN1CCOC(c2nccc(=O)[nH]2)C1
InChIInChI=1S/C9H13N3O2/c1-12-4-5-14-7(6-12)9-10-3-2-8(13)11-9/h2-3,7H,4-6H2,1H3,(H,10,11,13)
InChIKeyMVOHPTSUPHJCQM-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.23
Rot. Bonds1

About 2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one

2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one (PubChem CID 79077278) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one
PubChem CID79077278
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one
SMILESCN1CCOC(c2nccc(=O)[nH]2)C1
InChIInChI=1S/C9H13N3O2/c1-12-4-5-14-7(6-12)9-10-3-2-8(13)11-9/h2-3,7H,4-6H2,1H3,(H,10,11,13)
InChIKeyMVOHPTSUPHJCQM-UHFFFAOYSA-N
XLogP-0.23
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one (CID 79077278) is 2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one is CN1CCOC(c2nccc(=O)[nH]2)C1.
What is the InChIKey of 2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one?
The InChIKey is MVOHPTSUPHJCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-12-4-5-14-7(6-12)9-10-3-2-8(13)11-9/h2-3,7H,4-6H2,1H3,(H,10,11,13).
What are the key properties of 2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one?
2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one has a molecular weight of 195.22 g/mol, XLogP of -0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 79077278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).