2-[(3S,5R)-5-methylpiperidin-3-yl]oxy-1H-pyrimidin-6-one

C10H15N3O2 — CID 67958299

IUPAC2-[(3S,5R)-5-methylpiperidin-3-yl]oxy-1H-pyrimidin-6-one
SMILESC[C@H]1CNC[C@@H](Oc2nccc(=O)[nH]2)C1
InChIInChI=1S/C10H15N3O2/c1-7-4-8(6-11-5-7)15-10-12-3-2-9(14)13-10/h2-3,7-8,11H,4-6H2,1H3,(H,12,13,14)/t7-,8+/m1/s1
InChIKeyXWDUJHHSTYFNBE-SFYZADRCSA-N
MW209.25 g/mol
LogP0.15
Rot. Bonds2

About 2-[(3S,5R)-5-methylpiperidin-3-yl]oxy-1H-pyrimidin-6-one

2-[(3S,5R)-5-methylpiperidin-3-yl]oxy-1H-pyrimidin-6-one (PubChem CID 67958299) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-[(3S,5R)-5-methylpiperidin-3-yl]oxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(3S,5R)-5-methylpiperidin-3-yl]oxy-1H-pyrimidin-6-one
PubChem CID67958299
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name2-[(3S,5R)-5-methylpiperidin-3-yl]oxy-1H-pyrimidin-6-one
SMILESC[C@H]1CNC[C@@H](Oc2nccc(=O)[nH]2)C1
InChIInChI=1S/C10H15N3O2/c1-7-4-8(6-11-5-7)15-10-12-3-2-9(14)13-10/h2-3,7-8,11H,4-6H2,1H3,(H,12,13,14)/t7-,8+/m1/s1
InChIKeyXWDUJHHSTYFNBE-SFYZADRCSA-N
XLogP0.15
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S,5R)-5-methylpiperidin-3-yl]oxy-1H-pyrimidin-6-one?
The IUPAC name of 2-[(3S,5R)-5-methylpiperidin-3-yl]oxy-1H-pyrimidin-6-one (CID 67958299) is 2-[(3S,5R)-5-methylpiperidin-3-yl]oxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(3S,5R)-5-methylpiperidin-3-yl]oxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(3S,5R)-5-methylpiperidin-3-yl]oxy-1H-pyrimidin-6-one is C[C@H]1CNC[C@@H](Oc2nccc(=O)[nH]2)C1.
What is the InChIKey of 2-[(3S,5R)-5-methylpiperidin-3-yl]oxy-1H-pyrimidin-6-one?
The InChIKey is XWDUJHHSTYFNBE-SFYZADRCSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-7-4-8(6-11-5-7)15-10-12-3-2-9(14)13-10/h2-3,7-8,11H,4-6H2,1H3,(H,12,13,14)/t7-,8+/m1/s1.
What are the key properties of 2-[(3S,5R)-5-methylpiperidin-3-yl]oxy-1H-pyrimidin-6-one?
2-[(3S,5R)-5-methylpiperidin-3-yl]oxy-1H-pyrimidin-6-one has a molecular weight of 209.25 g/mol, XLogP of 0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,5R)-5-methylpiperidin-3-yl]oxy-1H-pyrimidin-6-one is sourced from PubChem (CID 67958299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).