2-methyl-4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one

C10H13N3O2 — CID 136973340

IUPAC2-methyl-4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCc1nc(N2CCCC(=O)C2)cc(=O)[nH]1
InChIInChI=1S/C10H13N3O2/c1-7-11-9(5-10(15)12-7)13-4-2-3-8(14)6-13/h5H,2-4,6H2,1H3,(H,11,12,15)
InChIKeyBKFQVEBHFOILJN-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.25
Rot. Bonds1

About 2-methyl-4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one

2-methyl-4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136973340) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-methyl-4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136973340
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name2-methyl-4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCc1nc(N2CCCC(=O)C2)cc(=O)[nH]1
InChIInChI=1S/C10H13N3O2/c1-7-11-9(5-10(15)12-7)13-4-2-3-8(14)6-13/h5H,2-4,6H2,1H3,(H,11,12,15)
InChIKeyBKFQVEBHFOILJN-UHFFFAOYSA-N
XLogP0.25
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Hydroxy-2-methyl-6-(piperidin-1-yl)pyrimidine
CID 137000217
4-(4-oxopiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136973275
2-methyl-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one
CID 136973277
2-ethyl-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one
CID 136973278
2-cyclopropyl-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one
CID 136973283
4-(4-acetylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136973294
4-(4-acetylpiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one
CID 136973296
4-(4-acetylpiperidin-1-yl)-2-ethyl-1H-pyrimidin-6-one
CID 136973297
4-(2-acetylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136973303
4-(2-acetylpiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one
CID 136973305
4-(2-acetylpiperidin-1-yl)-2-ethyl-1H-pyrimidin-6-one
CID 136973306
2-methyl-4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one
CID 136973321

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one (CID 136973340) is 2-methyl-4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one is Cc1nc(N2CCCC(=O)C2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is BKFQVEBHFOILJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-7-11-9(5-10(15)12-7)13-4-2-3-8(14)6-13/h5H,2-4,6H2,1H3,(H,11,12,15).
What are the key properties of 2-methyl-4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one?
2-methyl-4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 207.23 g/mol, XLogP of 0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136973340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).