2-cyclopropyl-4-piperidin-3-yloxy-1H-pyrimidin-6-one

C12H17N3O2 — CID 114586401

IUPAC2-cyclopropyl-4-piperidin-3-yloxy-1H-pyrimidin-6-one
SMILESO=c1cc(OC2CCCNC2)nc(C2CC2)[nH]1
InChIInChI=1S/C12H17N3O2/c16-10-6-11(15-12(14-10)8-3-4-8)17-9-2-1-5-13-7-9/h6,8-9,13H,1-5,7H2,(H,14,15,16)
InChIKeyPJPUROBDSBHRFD-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.78
Rot. Bonds3

About 2-cyclopropyl-4-piperidin-3-yloxy-1H-pyrimidin-6-one

2-cyclopropyl-4-piperidin-3-yloxy-1H-pyrimidin-6-one (PubChem CID 114586401) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-cyclopropyl-4-piperidin-3-yloxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-piperidin-3-yloxy-1H-pyrimidin-6-one
PubChem CID114586401
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-cyclopropyl-4-piperidin-3-yloxy-1H-pyrimidin-6-one
SMILESO=c1cc(OC2CCCNC2)nc(C2CC2)[nH]1
InChIInChI=1S/C12H17N3O2/c16-10-6-11(15-12(14-10)8-3-4-8)17-9-2-1-5-13-7-9/h6,8-9,13H,1-5,7H2,(H,14,15,16)
InChIKeyPJPUROBDSBHRFD-UHFFFAOYSA-N
XLogP0.78
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.78
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-piperidin-3-yloxy-1H-pyrimidin-6-one
CID 114586399
2-cyclopropyl-4-[4-(hydroxymethyl)cyclohexyl]oxy-1H-pyrimidin-6-one
CID 106825746
4-(2-aminocycloheptyl)oxy-2-cyclopropyl-1H-pyrimidin-6-one
CID 114586583
4-(azetidin-3-yloxy)-2-methyl-1H-pyrimidin-6-one
CID 114586449
4,6-dimethyl-2-piperidin-3-yloxypyrimidine;hydrochloride
CID 71638406
2-methyl-6-piperidin-3-yloxypyridine-4-carboxamide
CID 114770439
4-[[2-(aminomethyl)cyclohexyl]methoxy]-2-cyclopropyl-1H-pyrimidin-6-one
CID 114586522
2-methyl-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
CID 102954539
5-bromo-2-[(3R)-piperidin-3-yl]oxypyridine
CID 71636380
2-methyl-6-[(3R)-piperidin-3-yl]oxypyridine
CID 94407048
2-methoxy-6-[(3R)-piperidin-3-yl]oxypyridine
CID 96644678

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-piperidin-3-yloxy-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-piperidin-3-yloxy-1H-pyrimidin-6-one (CID 114586401) is 2-cyclopropyl-4-piperidin-3-yloxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-piperidin-3-yloxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-piperidin-3-yloxy-1H-pyrimidin-6-one is O=c1cc(OC2CCCNC2)nc(C2CC2)[nH]1.
What is the InChIKey of 2-cyclopropyl-4-piperidin-3-yloxy-1H-pyrimidin-6-one?
The InChIKey is PJPUROBDSBHRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c16-10-6-11(15-12(14-10)8-3-4-8)17-9-2-1-5-13-7-9/h6,8-9,13H,1-5,7H2,(H,14,15,16).
What are the key properties of 2-cyclopropyl-4-piperidin-3-yloxy-1H-pyrimidin-6-one?
2-cyclopropyl-4-piperidin-3-yloxy-1H-pyrimidin-6-one has a molecular weight of 235.29 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-piperidin-3-yloxy-1H-pyrimidin-6-one is sourced from PubChem (CID 114586401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).