5-chloro-4-(piperidin-2-ylmethoxy)-1H-pyrimidin-6-one

C10H14ClN3O2 — CID 114586416

IUPAC5-chloro-4-(piperidin-2-ylmethoxy)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(OCC2CCCCN2)c1Cl
InChIInChI=1S/C10H14ClN3O2/c11-8-9(15)13-6-14-10(8)16-5-7-3-1-2-4-12-7/h6-7,12H,1-5H2,(H,13,14,15)
InChIKeyDSOKYTNVHNUMKN-UHFFFAOYSA-N
MW243.69 g/mol
LogP0.94
Rot. Bonds3

About 5-chloro-4-(piperidin-2-ylmethoxy)-1H-pyrimidin-6-one

5-chloro-4-(piperidin-2-ylmethoxy)-1H-pyrimidin-6-one (PubChem CID 114586416) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is 5-chloro-4-(piperidin-2-ylmethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-(piperidin-2-ylmethoxy)-1H-pyrimidin-6-one
PubChem CID114586416
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Name5-chloro-4-(piperidin-2-ylmethoxy)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(OCC2CCCCN2)c1Cl
InChIInChI=1S/C10H14ClN3O2/c11-8-9(15)13-6-14-10(8)16-5-7-3-1-2-4-12-7/h6-7,12H,1-5H2,(H,13,14,15)
InChIKeyDSOKYTNVHNUMKN-UHFFFAOYSA-N
XLogP0.94
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-4-(piperidin-2-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

4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 103241701
5-chloro-4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one
CID 104939636
5-chloro-4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one
CID 113616066
5-chloro-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 113616100
5-chloro-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one
CID 113718819
5-chloro-4-(pyrrolidin-2-ylmethoxy)-1H-pyrimidin-6-one
CID 114586287
5-chloro-4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one
CID 114586373
5-chloro-4-piperidin-3-yloxy-1H-pyrimidin-6-one
CID 114586398
4-(piperidin-2-ylmethoxy)-1H-pyrimidin-6-one
CID 114586417
5-methoxy-4-(piperidin-2-ylmethoxy)-1H-pyrimidin-6-one
CID 114586420
5-bromo-4-(piperidin-2-ylmethoxy)-1H-pyrimidin-6-one
CID 114586421
5-amino-4-(piperidin-2-ylmethoxy)-1H-pyrimidin-6-one
CID 114586422

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(piperidin-2-ylmethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-(piperidin-2-ylmethoxy)-1H-pyrimidin-6-one (CID 114586416) is 5-chloro-4-(piperidin-2-ylmethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-(piperidin-2-ylmethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-(piperidin-2-ylmethoxy)-1H-pyrimidin-6-one is O=c1[nH]cnc(OCC2CCCCN2)c1Cl.
What is the InChIKey of 5-chloro-4-(piperidin-2-ylmethoxy)-1H-pyrimidin-6-one?
The InChIKey is DSOKYTNVHNUMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c11-8-9(15)13-6-14-10(8)16-5-7-3-1-2-4-12-7/h6-7,12H,1-5H2,(H,13,14,15).
What are the key properties of 5-chloro-4-(piperidin-2-ylmethoxy)-1H-pyrimidin-6-one?
5-chloro-4-(piperidin-2-ylmethoxy)-1H-pyrimidin-6-one has a molecular weight of 243.69 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(piperidin-2-ylmethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 114586416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).