2-methyl-4-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-1H-pyrimidin-6-one

C13H19N5O2 — CID 136568411

IUPAC2-methyl-4-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCc1nc(N2CCCC(N3CCNC3=O)C2)cc(=O)[nH]1
InChIInChI=1S/C13H19N5O2/c1-9-15-11(7-12(19)16-9)17-5-2-3-10(8-17)18-6-4-14-13(18)20/h7,10H,2-6,8H2,1H3,(H,14,20)(H,15,16,19)
InChIKeyBZJMZCNJAPRXCM-UHFFFAOYSA-N
MW277.33 g/mol
LogP0.07
Rot. Bonds2

About 2-methyl-4-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-1H-pyrimidin-6-one

2-methyl-4-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136568411) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-methyl-4-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-1H-pyrimidin-6-one
PubChem CID136568411
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name2-methyl-4-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCc1nc(N2CCCC(N3CCNC3=O)C2)cc(=O)[nH]1
InChIInChI=1S/C13H19N5O2/c1-9-15-11(7-12(19)16-9)17-5-2-3-10(8-17)18-6-4-14-13(18)20/h7,10H,2-6,8H2,1H3,(H,14,20)(H,15,16,19)
InChIKeyBZJMZCNJAPRXCM-UHFFFAOYSA-N
XLogP0.07
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-1H-pyrimidin-6-one (CID 136568411) is 2-methyl-4-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-1H-pyrimidin-6-one is Cc1nc(N2CCCC(N3CCNC3=O)C2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is BZJMZCNJAPRXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-9-15-11(7-12(19)16-9)17-5-2-3-10(8-17)18-6-4-14-13(18)20/h7,10H,2-6,8H2,1H3,(H,14,20)(H,15,16,19).
What are the key properties of 2-methyl-4-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-1H-pyrimidin-6-one?
2-methyl-4-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 277.33 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136568411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).