5,6-dimethyl-3-[[1-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one

C19H30N4O2 — CID 126941383

IUPAC5,6-dimethyl-3-[[1-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCc1ncn(CC2CCN(C3CCN(C(C)C)C3=O)CC2)c(=O)c1C
InChIInChI=1S/C19H30N4O2/c1-13(2)23-10-7-17(19(23)25)21-8-5-16(6-9-21)11-22-12-20-15(4)14(3)18(22)24/h12-13,16-17H,5-11H2,1-4H3
InChIKeyHVQTUBUHURVZLO-UHFFFAOYSA-N
MW346.48 g/mol
LogP1.58
Rot. Bonds4

About 5,6-dimethyl-3-[[1-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one

5,6-dimethyl-3-[[1-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126941383) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 5,6-dimethyl-3-[[1-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dimethyl-3-[[1-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126941383
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name5,6-dimethyl-3-[[1-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCc1ncn(CC2CCN(C3CCN(C(C)C)C3=O)CC2)c(=O)c1C
InChIInChI=1S/C19H30N4O2/c1-13(2)23-10-7-17(19(23)25)21-8-5-16(6-9-21)11-22-12-20-15(4)14(3)18(22)24/h12-13,16-17H,5-11H2,1-4H3
InChIKeyHVQTUBUHURVZLO-UHFFFAOYSA-N
XLogP1.58
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[[1-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 5,6-dimethyl-3-[[1-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one (CID 126941383) is 5,6-dimethyl-3-[[1-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 5,6-dimethyl-3-[[1-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 5,6-dimethyl-3-[[1-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one is Cc1ncn(CC2CCN(C3CCN(C(C)C)C3=O)CC2)c(=O)c1C.
What is the InChIKey of 5,6-dimethyl-3-[[1-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is HVQTUBUHURVZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-13(2)23-10-7-17(19(23)25)21-8-5-16(6-9-21)11-22-12-20-15(4)14(3)18(22)24/h12-13,16-17H,5-11H2,1-4H3.
What are the key properties of 5,6-dimethyl-3-[[1-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
5,6-dimethyl-3-[[1-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 346.48 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[[1-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126941383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).