2-cyclopropyl-4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one

C13H19N3O2 — CID 114586410

IUPAC2-cyclopropyl-4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one
SMILESO=c1cc(OCC2CCCNC2)nc(C2CC2)[nH]1
InChIInChI=1S/C13H19N3O2/c17-11-6-12(16-13(15-11)10-3-4-10)18-8-9-2-1-5-14-7-9/h6,9-10,14H,1-5,7-8H2,(H,15,16,17)
InChIKeyUFEGYPZAIMKEGA-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.03
Rot. Bonds4

About 2-cyclopropyl-4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one

2-cyclopropyl-4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one (PubChem CID 114586410) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-cyclopropyl-4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one
PubChem CID114586410
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-cyclopropyl-4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one
SMILESO=c1cc(OCC2CCCNC2)nc(C2CC2)[nH]1
InChIInChI=1S/C13H19N3O2/c17-11-6-12(16-13(15-11)10-3-4-10)18-8-9-2-1-5-14-7-9/h6,9-10,14H,1-5,7-8H2,(H,15,16,17)
InChIKeyUFEGYPZAIMKEGA-UHFFFAOYSA-N
XLogP1.03
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-4-(piperidin-3-ylmethoxy)-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

Related Compounds

2-cyclopropyl-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one
CID 102930650
2-cyclopropyl-4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one
CID 103241387
2-cyclopropyl-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one
CID 103241479
4-methoxy-2-piperidin-3-yl-1H-pyrimidin-6-one
CID 105462848
4-methoxy-2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one
CID 105480518
4-methoxy-2-(piperidin-3-ylmethyl)-1H-pyrimidin-6-one
CID 105480520
4-piperidin-4-yloxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 113604861
4-(piperidin-4-ylmethoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 113604864
4-(piperidin-3-ylmethoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 113604871
2-cyclopropyl-4-(piperidin-2-ylmethoxy)-1H-pyrimidin-6-one
CID 113604872
2-ethyl-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one
CID 113604874
2-methyl-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one
CID 113604876

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one (CID 114586410) is 2-cyclopropyl-4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one is O=c1cc(OCC2CCCNC2)nc(C2CC2)[nH]1.
What is the InChIKey of 2-cyclopropyl-4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one?
The InChIKey is UFEGYPZAIMKEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c17-11-6-12(16-13(15-11)10-3-4-10)18-8-9-2-1-5-14-7-9/h6,9-10,14H,1-5,7-8H2,(H,15,16,17).
What are the key properties of 2-cyclopropyl-4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one?
2-cyclopropyl-4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one has a molecular weight of 249.31 g/mol, XLogP of 1.03, 4 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-ylmethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 114586410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).