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

C10H15N3O2 — CID 104939643

IUPAC2-methyl-4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one
SMILESCc1nc(O[C@H]2CCCNC2)cc(=O)[nH]1
InChIInChI=1S/C10H15N3O2/c1-7-12-9(14)5-10(13-7)15-8-3-2-4-11-6-8/h5,8,11H,2-4,6H2,1H3,(H,12,13,14)/t8-/m0/s1
InChIKeyOVVMSEBXVDFGRX-QMMMGPOBSA-N
MW209.25 g/mol
LogP0.21
Rot. Bonds2

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

2-methyl-4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one (PubChem CID 104939643) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-methyl-4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one
PubChem CID104939643
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name2-methyl-4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one
SMILESCc1nc(O[C@H]2CCCNC2)cc(=O)[nH]1
InChIInChI=1S/C10H15N3O2/c1-7-12-9(14)5-10(13-7)15-8-3-2-4-11-6-8/h5,8,11H,2-4,6H2,1H3,(H,12,13,14)/t8-/m0/s1
InChIKeyOVVMSEBXVDFGRX-QMMMGPOBSA-N
XLogP0.21
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 ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 102635013
4-(4-methylpiperidin-3-yl)oxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 102954448
2-methyl-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
CID 102954539
4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
CID 102954690
2-cyclopropyl-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
CID 102954733
2-methyl-4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one
CID 103241391
4-(2-piperidin-1-ylethoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 103241398
2-methyl-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one
CID 103241483
2-ethyl-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one
CID 103241485
2-ethyl-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 103241700
4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one
CID 104939637
2-ethyl-4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one
CID 104939638

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one (CID 104939643) is 2-methyl-4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one is Cc1nc(O[C@H]2CCCNC2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one?
The InChIKey is OVVMSEBXVDFGRX-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-7-12-9(14)5-10(13-7)15-8-3-2-4-11-6-8/h5,8,11H,2-4,6H2,1H3,(H,12,13,14)/t8-/m0/s1.
What are the key properties of 2-methyl-4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one?
2-methyl-4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one has a molecular weight of 209.25 g/mol, XLogP of 0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one is sourced from PubChem (CID 104939643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).