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

C11H15N3O3 — CID 135210790

IUPAC1-(4,6-dimethoxypyrimidin-2-yl)piperidin-2-one
SMILESCOc1cc(OC)nc(N2CCCCC2=O)n1
InChIInChI=1S/C11H15N3O3/c1-16-8-7-9(17-2)13-11(12-8)14-6-4-3-5-10(14)15/h7H,3-6H2,1-2H3
InChIKeyXPZQFEYHMPTBBP-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.01
Rot. Bonds3

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

1-(4,6-dimethoxypyrimidin-2-yl)piperidin-2-one (PubChem CID 135210790) 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-2-one.

Molecular Properties

Compound Name1-(4,6-dimethoxypyrimidin-2-yl)piperidin-2-one
PubChem CID135210790
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name1-(4,6-dimethoxypyrimidin-2-yl)piperidin-2-one
SMILESCOc1cc(OC)nc(N2CCCCC2=O)n1
InChIInChI=1S/C11H15N3O3/c1-16-8-7-9(17-2)13-11(12-8)14-6-4-3-5-10(14)15/h7H,3-6H2,1-2H3
InChIKeyXPZQFEYHMPTBBP-UHFFFAOYSA-N
XLogP1.01
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4,6-Dimethoxypyrimidin-2-yl)pyrrolidine-2,5-dione
CID 90342170
4,6-Dimethoxy-2-piperidin-1-ylpyrimidine
CID 90342172
1-(4,6-Dimethoxypyrimidin-2-yl)piperidine-2,6-dione
CID 90342721
[(3S)-1-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95563465
4,6-Dimethoxy-2-(4-methylpiperazin-1-yl)pyrimidine
CID 4101454
3-[(4,6-dimethoxy-2-pyrimidinyl)amino]-2,6-Piperidinedione
CID 115355191
2-[4-(4,4-Difluoropiperidine-1-carbonyl)piperidin-1-yl]-4,6-dimethoxypyrimidine
CID 155976053
2-[3-(4,4-Difluoropiperidine-1-carbonyl)piperidin-1-yl]-4,6-dimethoxypyrimidine
CID 163357877
2-[3-(4,4-Difluoropiperidine-1-carbonyl)pyrrolidin-1-yl]-4,6-dimethoxypyrimidine
CID 168055518
2-(4,4-Difluoropiperidin-1-yl)-4,6-dimethoxypyrimidine
CID 168055799
1-(4,4-Difluoropiperidin-1-yl)-2-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]ethan-1-one
CID 171994247
2-[3-(4,4-Difluoropiperidine-1-carbonyl)azetidin-1-yl]-4,6-dimethoxypyrimidine
CID 172009418

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethoxypyrimidin-2-yl)piperidin-2-one?
The IUPAC name of 1-(4,6-dimethoxypyrimidin-2-yl)piperidin-2-one (CID 135210790) is 1-(4,6-dimethoxypyrimidin-2-yl)piperidin-2-one.
What is the SMILES notation for 1-(4,6-dimethoxypyrimidin-2-yl)piperidin-2-one?
The canonical SMILES for 1-(4,6-dimethoxypyrimidin-2-yl)piperidin-2-one is COc1cc(OC)nc(N2CCCCC2=O)n1.
What is the InChIKey of 1-(4,6-dimethoxypyrimidin-2-yl)piperidin-2-one?
The InChIKey is XPZQFEYHMPTBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-16-8-7-9(17-2)13-11(12-8)14-6-4-3-5-10(14)15/h7H,3-6H2,1-2H3.
What are the key properties of 1-(4,6-dimethoxypyrimidin-2-yl)piperidin-2-one?
1-(4,6-dimethoxypyrimidin-2-yl)piperidin-2-one has a molecular weight of 237.26 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethoxypyrimidin-2-yl)piperidin-2-one is sourced from PubChem (CID 135210790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).