2-methyl-4-[(3-oxo-3-piperidin-1-ylpropyl)amino]-1H-pyrimidin-6-one

C13H20N4O2 — CID 136957139

IUPAC2-methyl-4-[(3-oxo-3-piperidin-1-ylpropyl)amino]-1H-pyrimidin-6-one
SMILESCc1nc(NCCC(=O)N2CCCCC2)cc(=O)[nH]1
InChIInChI=1S/C13H20N4O2/c1-10-15-11(9-12(18)16-10)14-6-5-13(19)17-7-3-2-4-8-17/h9H,2-8H2,1H3,(H2,14,15,16,18)
InChIKeyDBZYCBXMOLYGQF-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.89
Rot. Bonds4

About 2-methyl-4-[(3-oxo-3-piperidin-1-ylpropyl)amino]-1H-pyrimidin-6-one

2-methyl-4-[(3-oxo-3-piperidin-1-ylpropyl)amino]-1H-pyrimidin-6-one (PubChem CID 136957139) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-methyl-4-[(3-oxo-3-piperidin-1-ylpropyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[(3-oxo-3-piperidin-1-ylpropyl)amino]-1H-pyrimidin-6-one
PubChem CID136957139
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2-methyl-4-[(3-oxo-3-piperidin-1-ylpropyl)amino]-1H-pyrimidin-6-one
SMILESCc1nc(NCCC(=O)N2CCCCC2)cc(=O)[nH]1
InChIInChI=1S/C13H20N4O2/c1-10-15-11(9-12(18)16-10)14-6-5-13(19)17-7-3-2-4-8-17/h9H,2-8H2,1H3,(H2,14,15,16,18)
InChIKeyDBZYCBXMOLYGQF-UHFFFAOYSA-N
XLogP0.89
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-amino-6-hydroxy-2-pyrimidinyl)ethyl]-2-(1-ethyl-4-piperidinyl)acetamide
CID 136216738
N-ethyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 139019818
2,3-Dimethyl-6-piperidin-1-ylpyrimidin-4-one
CID 67744616
1-[4-[(6-Methyl-1,2-dihydropyrimidin-4-yl)amino]piperidin-1-yl]ethanone
CID 118929981
4-Hydroxy-2-methyl-6-(piperidin-1-yl)pyrimidine
CID 137000217
2-(2,4-diamino-1H-pyrimidin-2-yl)-1-piperidin-1-ylethanone
CID 154281840
(7E)-8-(methylaminomethyl)-5-methylimino-2,6,10,14,19-pentazatricyclo[12.3.1.13,7]nonadeca-3,7-diene-9,13-dione
CID 155701224
2-(methylamino)-N-(4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-2-yl)acetamide
CID 164573864
N-(4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-2-yl)acetamide
CID 175761646
N-[2-(4,6-dihydroxy-2-pyrimidinyl)ethyl]-4-(1-piperidinyl)butanamide
CID 72914259
2-(Aminomethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one
CID 84687782
2-(1-Aminoethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one
CID 84699557

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(3-oxo-3-piperidin-1-ylpropyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[(3-oxo-3-piperidin-1-ylpropyl)amino]-1H-pyrimidin-6-one (CID 136957139) is 2-methyl-4-[(3-oxo-3-piperidin-1-ylpropyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[(3-oxo-3-piperidin-1-ylpropyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[(3-oxo-3-piperidin-1-ylpropyl)amino]-1H-pyrimidin-6-one is Cc1nc(NCCC(=O)N2CCCCC2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-[(3-oxo-3-piperidin-1-ylpropyl)amino]-1H-pyrimidin-6-one?
The InChIKey is DBZYCBXMOLYGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-10-15-11(9-12(18)16-10)14-6-5-13(19)17-7-3-2-4-8-17/h9H,2-8H2,1H3,(H2,14,15,16,18).
What are the key properties of 2-methyl-4-[(3-oxo-3-piperidin-1-ylpropyl)amino]-1H-pyrimidin-6-one?
2-methyl-4-[(3-oxo-3-piperidin-1-ylpropyl)amino]-1H-pyrimidin-6-one has a molecular weight of 264.33 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(3-oxo-3-piperidin-1-ylpropyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136957139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).