5-amino-4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one

C11H18N4O2 — CID 136702376

IUPAC5-amino-4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCOC1CN(c2nc[nH]c(=O)c2N)CCC1C
InChIInChI=1S/C11H18N4O2/c1-7-3-4-15(5-8(7)17-2)10-9(12)11(16)14-6-13-10/h6-8H,3-5,12H2,1-2H3,(H,13,14,16)
InChIKeyLQERBMWZBANGBT-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.21
Rot. Bonds2

About 5-amino-4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one

5-amino-4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136702376) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-amino-4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136702376
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name5-amino-4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCOC1CN(c2nc[nH]c(=O)c2N)CCC1C
InChIInChI=1S/C11H18N4O2/c1-7-3-4-15(5-8(7)17-2)10-9(12)11(16)14-6-13-10/h6-8H,3-5,12H2,1-2H3,(H,13,14,16)
InChIKeyLQERBMWZBANGBT-UHFFFAOYSA-N
XLogP0.21
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-amino-4-(3-methoxy-4-methylpiperidin-1-yl)-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

5-amino-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
CID 102954541
5-amino-4-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 135568288
ethyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylate
CID 135568297
methyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylate
CID 135575725
4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136702378
5-amino-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136702381
5-amino-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136716212
5-amino-4-(3-hydroxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136749162
5-bromo-4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136749176
5-iodo-4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136749177
5-chloro-4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136749178
5-amino-4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one
CID 136783272

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one (CID 136702376) is 5-amino-4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one is COC1CN(c2nc[nH]c(=O)c2N)CCC1C.
What is the InChIKey of 5-amino-4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is LQERBMWZBANGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-7-3-4-15(5-8(7)17-2)10-9(12)11(16)14-6-13-10/h6-8H,3-5,12H2,1-2H3,(H,13,14,16).
What are the key properties of 5-amino-4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
5-amino-4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 238.29 g/mol, XLogP of 0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136702376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).