5-methyl-3-[[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one

C16H24N4O2 — CID 126940915

IUPAC5-methyl-3-[[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCc1cncn(CC2CCN(C3CCN(C)C3=O)CC2)c1=O
InChIInChI=1S/C16H24N4O2/c1-12-9-17-11-20(15(12)21)10-13-3-7-19(8-4-13)14-5-6-18(2)16(14)22/h9,11,13-14H,3-8,10H2,1-2H3
InChIKeyRKJKVDXWIODQOD-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.49
Rot. Bonds3

About 5-methyl-3-[[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one

5-methyl-3-[[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126940915) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 5-methyl-3-[[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-methyl-3-[[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126940915
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name5-methyl-3-[[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCc1cncn(CC2CCN(C3CCN(C)C3=O)CC2)c1=O
InChIInChI=1S/C16H24N4O2/c1-12-9-17-11-20(15(12)21)10-13-3-7-19(8-4-13)14-5-6-18(2)16(14)22/h9,11,13-14H,3-8,10H2,1-2H3
InChIKeyRKJKVDXWIODQOD-UHFFFAOYSA-N
XLogP0.49
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 5-methyl-3-[[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one (CID 126940915) is 5-methyl-3-[[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 5-methyl-3-[[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 5-methyl-3-[[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one is Cc1cncn(CC2CCN(C3CCN(C)C3=O)CC2)c1=O.
What is the InChIKey of 5-methyl-3-[[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is RKJKVDXWIODQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-12-9-17-11-20(15(12)21)10-13-3-7-19(8-4-13)14-5-6-18(2)16(14)22/h9,11,13-14H,3-8,10H2,1-2H3.
What are the key properties of 5-methyl-3-[[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
5-methyl-3-[[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 304.39 g/mol, XLogP of 0.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126940915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).