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

C14H20N4O2 — CID 136568857

IUPAC2-methyl-4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCc1nc(N2CCC(N3CCCC3=O)CC2)cc(=O)[nH]1
InChIInChI=1S/C14H20N4O2/c1-10-15-12(9-13(19)16-10)17-7-4-11(5-8-17)18-6-2-3-14(18)20/h9,11H,2-8H2,1H3,(H,15,16,19)
InChIKeyPNKQCKPAPCMZIP-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.67
Rot. Bonds2

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

2-methyl-4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136568857) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-methyl-4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]-1H-pyrimidin-6-one
PubChem CID136568857
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name2-methyl-4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCc1nc(N2CCC(N3CCCC3=O)CC2)cc(=O)[nH]1
InChIInChI=1S/C14H20N4O2/c1-10-15-12(9-13(19)16-10)17-7-4-11(5-8-17)18-6-2-3-14(18)20/h9,11H,2-8H2,1H3,(H,15,16,19)
InChIKeyPNKQCKPAPCMZIP-UHFFFAOYSA-N
XLogP0.67
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]-1H-pyrimidin-6-one (CID 136568857) is 2-methyl-4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]-1H-pyrimidin-6-one is Cc1nc(N2CCC(N3CCCC3=O)CC2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is PNKQCKPAPCMZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-10-15-12(9-13(19)16-10)17-7-4-11(5-8-17)18-6-2-3-14(18)20/h9,11H,2-8H2,1H3,(H,15,16,19).
What are the key properties of 2-methyl-4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]-1H-pyrimidin-6-one?
2-methyl-4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 276.34 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136568857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).