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

C9H13N3O2 — CID 137377388

IUPAC2-[(2S)-2-methylmorpholin-4-yl]-1H-pyrimidin-6-one
SMILESC[C@H]1CN(c2nccc(=O)[nH]2)CCO1
InChIInChI=1S/C9H13N3O2/c1-7-6-12(4-5-14-7)9-10-3-2-8(13)11-9/h2-3,7H,4-6H2,1H3,(H,10,11,13)/t7-/m0/s1
InChIKeyJIJMKYPQCQOCAQ-ZETCQYMHSA-N
MW195.22 g/mol
LogP-0.00
Rot. Bonds1

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

2-[(2S)-2-methylmorpholin-4-yl]-1H-pyrimidin-6-one (PubChem CID 137377388) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-[(2S)-2-methylmorpholin-4-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2S)-2-methylmorpholin-4-yl]-1H-pyrimidin-6-one
PubChem CID137377388
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-[(2S)-2-methylmorpholin-4-yl]-1H-pyrimidin-6-one
SMILESC[C@H]1CN(c2nccc(=O)[nH]2)CCO1
InChIInChI=1S/C9H13N3O2/c1-7-6-12(4-5-14-7)9-10-3-2-8(13)11-9/h2-3,7H,4-6H2,1H3,(H,10,11,13)/t7-/m0/s1
InChIKeyJIJMKYPQCQOCAQ-ZETCQYMHSA-N
XLogP-0.00
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 ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-methylmorpholin-4-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2S)-2-methylmorpholin-4-yl]-1H-pyrimidin-6-one (CID 137377388) is 2-[(2S)-2-methylmorpholin-4-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2S)-2-methylmorpholin-4-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2S)-2-methylmorpholin-4-yl]-1H-pyrimidin-6-one is C[C@H]1CN(c2nccc(=O)[nH]2)CCO1.
What is the InChIKey of 2-[(2S)-2-methylmorpholin-4-yl]-1H-pyrimidin-6-one?
The InChIKey is JIJMKYPQCQOCAQ-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-7-6-12(4-5-14-7)9-10-3-2-8(13)11-9/h2-3,7H,4-6H2,1H3,(H,10,11,13)/t7-/m0/s1.
What are the key properties of 2-[(2S)-2-methylmorpholin-4-yl]-1H-pyrimidin-6-one?
2-[(2S)-2-methylmorpholin-4-yl]-1H-pyrimidin-6-one has a molecular weight of 195.22 g/mol, XLogP of -0.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-methylmorpholin-4-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137377388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).