1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-one

C11H15N3O3 — CID 66701539

IUPAC1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-one
SMILESCOc1cc(OC)nc(N2CCC(=O)CC2)n1
InChIInChI=1S/C11H15N3O3/c1-16-9-7-10(17-2)13-11(12-9)14-5-3-8(15)4-6-14/h7H,3-6H2,1-2H3
InChIKeyWDHJYHHGELHYAZ-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.66
Rot. Bonds3

About 1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-one

1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-one (PubChem CID 66701539) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-one.

Molecular Properties

Compound Name1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-one
PubChem CID66701539
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-one
SMILESCOc1cc(OC)nc(N2CCC(=O)CC2)n1
InChIInChI=1S/C11H15N3O3/c1-16-9-7-10(17-2)13-11(12-9)14-5-3-8(15)4-6-14/h7H,3-6H2,1-2H3
InChIKeyWDHJYHHGELHYAZ-UHFFFAOYSA-N
XLogP0.66
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-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

4,6-Dimethoxy-2-piperidin-1-ylpyrimidine
CID 90342172
4,6-Dimethoxy-2-pyrrolidin-1-ylpyrimidine
CID 90342261
1-(4,6-Dimethoxypyrimidin-2-yl)piperidine-2,6-dione
CID 90342721
N'-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethylmethanimidamide
CID 9583216
1-(4,6-Dimethoxypyrimidin-2-yl)propan-2-one
CID 11264052
4-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethylpiperazine-1-sulfonamide
CID 25269752
N'-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethylmethanimidamide
CID 2801433
N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-4,6-dimethoxypyrimidin-2-amine
CID 164638252
(2S)-4-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethylmorpholine-2-carboxamide
CID 164641932
2-Dimethylamino-4,6-dimethoxypyrimidine
CID 838369
4,6-Dimethoxy-2-(4-methylpiperazin-1-yl)pyrimidine
CID 4101454
4,6-Dimethoxy-2-[(4-methylpiperidin-1-yl)methyl]pyrimidine
CID 4610746

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-one?
The IUPAC name of 1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-one (CID 66701539) is 1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-one.
What is the SMILES notation for 1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-one?
The canonical SMILES for 1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-one is COc1cc(OC)nc(N2CCC(=O)CC2)n1.
What is the InChIKey of 1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-one?
The InChIKey is WDHJYHHGELHYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-16-9-7-10(17-2)13-11(12-9)14-5-3-8(15)4-6-14/h7H,3-6H2,1-2H3.
What are the key properties of 1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-one?
1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-one has a molecular weight of 237.26 g/mol, XLogP of 0.66, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-one is sourced from PubChem (CID 66701539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).