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

C12H17N3O2 — CID 114586281

IUPAC2-cyclopropyl-4-piperidin-4-yloxy-1H-pyrimidin-6-one
SMILESO=c1cc(OC2CCNCC2)nc(C2CC2)[nH]1
InChIInChI=1S/C12H17N3O2/c16-10-7-11(15-12(14-10)8-1-2-8)17-9-3-5-13-6-4-9/h7-9,13H,1-6H2,(H,14,15,16)
InChIKeyBTNAFBLIJQGRFB-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.78
Rot. Bonds3

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

2-cyclopropyl-4-piperidin-4-yloxy-1H-pyrimidin-6-one (PubChem CID 114586281) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-cyclopropyl-4-piperidin-4-yloxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-piperidin-4-yloxy-1H-pyrimidin-6-one
PubChem CID114586281
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-cyclopropyl-4-piperidin-4-yloxy-1H-pyrimidin-6-one
SMILESO=c1cc(OC2CCNCC2)nc(C2CC2)[nH]1
InChIInChI=1S/C12H17N3O2/c16-10-7-11(15-12(14-10)8-1-2-8)17-9-3-5-13-6-4-9/h7-9,13H,1-6H2,(H,14,15,16)
InChIKeyBTNAFBLIJQGRFB-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

Analyze 2-cyclopropyl-4-piperidin-4-yloxy-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-piperidin-4-yloxy-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-piperidin-4-yloxy-1H-pyrimidin-6-one (CID 114586281) is 2-cyclopropyl-4-piperidin-4-yloxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-piperidin-4-yloxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-piperidin-4-yloxy-1H-pyrimidin-6-one is O=c1cc(OC2CCNCC2)nc(C2CC2)[nH]1.
What is the InChIKey of 2-cyclopropyl-4-piperidin-4-yloxy-1H-pyrimidin-6-one?
The InChIKey is BTNAFBLIJQGRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c16-10-7-11(15-12(14-10)8-1-2-8)17-9-3-5-13-6-4-9/h7-9,13H,1-6H2,(H,14,15,16).
What are the key properties of 2-cyclopropyl-4-piperidin-4-yloxy-1H-pyrimidin-6-one?
2-cyclopropyl-4-piperidin-4-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-4-yloxy-1H-pyrimidin-6-one is sourced from PubChem (CID 114586281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).