4-[(3S)-piperidin-3-yl]oxy-2-propan-2-yl-1H-pyrimidin-6-one

C12H19N3O2 — CID 104939639

IUPAC4-[(3S)-piperidin-3-yl]oxy-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(O[C@H]2CCCNC2)cc(=O)[nH]1
InChIInChI=1S/C12H19N3O2/c1-8(2)12-14-10(16)6-11(15-12)17-9-4-3-5-13-7-9/h6,8-9,13H,3-5,7H2,1-2H3,(H,14,15,16)/t9-/m0/s1
InChIKeyGIMHHGOGSJBWMW-VIFPVBQESA-N
MW237.30 g/mol
LogP1.02
Rot. Bonds3

About 4-[(3S)-piperidin-3-yl]oxy-2-propan-2-yl-1H-pyrimidin-6-one

4-[(3S)-piperidin-3-yl]oxy-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 104939639) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-[(3S)-piperidin-3-yl]oxy-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3S)-piperidin-3-yl]oxy-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID104939639
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-[(3S)-piperidin-3-yl]oxy-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(O[C@H]2CCCNC2)cc(=O)[nH]1
InChIInChI=1S/C12H19N3O2/c1-8(2)12-14-10(16)6-11(15-12)17-9-4-3-5-13-7-9/h6,8-9,13H,3-5,7H2,1-2H3,(H,14,15,16)/t9-/m0/s1
InChIKeyGIMHHGOGSJBWMW-VIFPVBQESA-N
XLogP1.02
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-piperidin-3-yl]oxy-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3S)-piperidin-3-yl]oxy-2-propan-2-yl-1H-pyrimidin-6-one (CID 104939639) is 4-[(3S)-piperidin-3-yl]oxy-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3S)-piperidin-3-yl]oxy-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3S)-piperidin-3-yl]oxy-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(O[C@H]2CCCNC2)cc(=O)[nH]1.
What is the InChIKey of 4-[(3S)-piperidin-3-yl]oxy-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is GIMHHGOGSJBWMW-VIFPVBQESA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8(2)12-14-10(16)6-11(15-12)17-9-4-3-5-13-7-9/h6,8-9,13H,3-5,7H2,1-2H3,(H,14,15,16)/t9-/m0/s1.
What are the key properties of 4-[(3S)-piperidin-3-yl]oxy-2-propan-2-yl-1H-pyrimidin-6-one?
4-[(3S)-piperidin-3-yl]oxy-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 237.30 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-piperidin-3-yl]oxy-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 104939639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).