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

C17H26N4O2 — CID 126941390

IUPAC5,6-dimethyl-3-[[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCc1ncn(CC2CCN(C3CCN(C)C3=O)CC2)c(=O)c1C
InChIInChI=1S/C17H26N4O2/c1-12-13(2)18-11-21(16(12)22)10-14-4-8-20(9-5-14)15-6-7-19(3)17(15)23/h11,14-15H,4-10H2,1-3H3
InChIKeyCFTDBZQCZQGEJW-UHFFFAOYSA-N
MW318.42 g/mol
LogP0.80
Rot. Bonds3

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

5,6-dimethyl-3-[[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126941390) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 5,6-dimethyl-3-[[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dimethyl-3-[[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126941390
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name5,6-dimethyl-3-[[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCc1ncn(CC2CCN(C3CCN(C)C3=O)CC2)c(=O)c1C
InChIInChI=1S/C17H26N4O2/c1-12-13(2)18-11-21(16(12)22)10-14-4-8-20(9-5-14)15-6-7-19(3)17(15)23/h11,14-15H,4-10H2,1-3H3
InChIKeyCFTDBZQCZQGEJW-UHFFFAOYSA-N
XLogP0.80
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 50.80
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-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 5,6-dimethyl-3-[[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one (CID 126941390) is 5,6-dimethyl-3-[[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 5,6-dimethyl-3-[[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 5,6-dimethyl-3-[[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one is Cc1ncn(CC2CCN(C3CCN(C)C3=O)CC2)c(=O)c1C.
What is the InChIKey of 5,6-dimethyl-3-[[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is CFTDBZQCZQGEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-12-13(2)18-11-21(16(12)22)10-14-4-8-20(9-5-14)15-6-7-19(3)17(15)23/h11,14-15H,4-10H2,1-3H3.
What are the key properties of 5,6-dimethyl-3-[[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
5,6-dimethyl-3-[[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 318.42 g/mol, XLogP of 0.80, 3 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-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126941390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).