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

C13H20N4O2 — CID 136957093

IUPAC2-methyl-4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]-1H-pyrimidin-6-one
SMILESCc1nc(NC(C)C(=O)N2CCCCC2)cc(=O)[nH]1
InChIInChI=1S/C13H20N4O2/c1-9(13(19)17-6-4-3-5-7-17)14-11-8-12(18)16-10(2)15-11/h8-9H,3-7H2,1-2H3,(H2,14,15,16,18)
InChIKeyFNJGETGUBFFBSQ-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.89
Rot. Bonds3

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

2-methyl-4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136957093) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-methyl-4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]-1H-pyrimidin-6-one
PubChem CID136957093
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2-methyl-4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]-1H-pyrimidin-6-one
SMILESCc1nc(NC(C)C(=O)N2CCCCC2)cc(=O)[nH]1
InChIInChI=1S/C13H20N4O2/c1-9(13(19)17-6-4-3-5-7-17)14-11-8-12(18)16-10(2)15-11/h8-9H,3-7H2,1-2H3,(H2,14,15,16,18)
InChIKeyFNJGETGUBFFBSQ-UHFFFAOYSA-N
XLogP0.89
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
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

Analyze 2-methyl-4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]-1H-pyrimidin-6-one with MolForge

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Related Compounds

(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
4-hydroxy-2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one
CID 55221569
2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one
CID 63362943
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
2-(2-Aminoethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one
CID 84699558
3-[(1-Oxo-1-piperidin-1-ylpropan-2-yl)amino]-1-propylpyrazin-2-one
CID 104408598
3-[(1-Oxo-1-piperidin-1-ylpropan-2-yl)amino]-1-propan-2-ylpyrazin-2-one
CID 104408608
1-Ethyl-3-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]pyrazin-2-one
CID 104408641
1-Methyl-3-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]pyrazin-2-one
CID 112695202
6-Chloro-2-methyl-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrimidin-4-one
CID 113604146

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]-1H-pyrimidin-6-one (CID 136957093) is 2-methyl-4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]-1H-pyrimidin-6-one is Cc1nc(NC(C)C(=O)N2CCCCC2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is FNJGETGUBFFBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-9(13(19)17-6-4-3-5-7-17)14-11-8-12(18)16-10(2)15-11/h8-9H,3-7H2,1-2H3,(H2,14,15,16,18).
What are the key properties of 2-methyl-4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]-1H-pyrimidin-6-one?
2-methyl-4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 264.33 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136957093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).