2-methyl-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one

C11H17N3O2 — CID 102954539

IUPAC2-methyl-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
SMILESCc1nc(OC2CNCCC2C)cc(=O)[nH]1
InChIInChI=1S/C11H17N3O2/c1-7-3-4-12-6-9(7)16-11-5-10(15)13-8(2)14-11/h5,7,9,12H,3-4,6H2,1-2H3,(H,13,14,15)
InChIKeyQSUKVLFRXAYHGB-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.46
Rot. Bonds2

About 2-methyl-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one

2-methyl-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one (PubChem CID 102954539) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-methyl-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
PubChem CID102954539
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-methyl-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
SMILESCc1nc(OC2CNCCC2C)cc(=O)[nH]1
InChIInChI=1S/C11H17N3O2/c1-7-3-4-12-6-9(7)16-11-5-10(15)13-8(2)14-11/h5,7,9,12H,3-4,6H2,1-2H3,(H,13,14,15)
InChIKeyQSUKVLFRXAYHGB-UHFFFAOYSA-N
XLogP0.46
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
CID 102954733
4-(azetidin-3-yloxy)-2-methyl-1H-pyrimidin-6-one
CID 114586449
4-[2-(aminomethyl)cyclohexyl]oxy-2-methyl-1H-pyrimidin-6-one
CID 114586518
2-methyl-6-(4-methylpiperidin-3-yl)oxy-3-nitropyridine
CID 102954630
4-(3-aminocyclopentyl)oxy-2-methyl-1H-pyrimidin-6-one
CID 114586569
6-(4-methylpiperidin-3-yl)oxypyridine-2-carboxamide
CID 102954424
4-(4-methylpiperidin-3-yl)oxypyrimidine
CID 102954700
2,5-dimethyl-3-(4-methylpiperidin-3-yl)oxypyrazine
CID 102954494
4,5-dimethyl-2-(4-methylpiperidin-3-yl)oxy-1,3-thiazole
CID 102954515
6-(4-methylpiperidin-3-yl)oxypyridine-2-carbonitrile
CID 102954442
2-(4-methylpiperidin-3-yl)oxy-6-nitro-1H-benzimidazole
CID 102954476
6-(4-methylpiperidin-3-yl)oxy-3-nitropyridine-2-carbonitrile
CID 103473371

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one (CID 102954539) is 2-methyl-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one is Cc1nc(OC2CNCCC2C)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one?
The InChIKey is QSUKVLFRXAYHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-7-3-4-12-6-9(7)16-11-5-10(15)13-8(2)14-11/h5,7,9,12H,3-4,6H2,1-2H3,(H,13,14,15).
What are the key properties of 2-methyl-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one?
2-methyl-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one is sourced from PubChem (CID 102954539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).