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

C18H28N4O2 — CID 126941379

IUPAC5,6-dimethyl-3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCc1ncn(CC2CCN(CCN3CCCC3=O)CC2)c(=O)c1C
InChIInChI=1S/C18H28N4O2/c1-14-15(2)19-13-22(18(14)24)12-16-5-8-20(9-6-16)10-11-21-7-3-4-17(21)23/h13,16H,3-12H2,1-2H3
InChIKeyOIOLSAQTBGTSFL-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.19
Rot. Bonds5

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

5,6-dimethyl-3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126941379) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 5,6-dimethyl-3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dimethyl-3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126941379
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name5,6-dimethyl-3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCc1ncn(CC2CCN(CCN3CCCC3=O)CC2)c(=O)c1C
InChIInChI=1S/C18H28N4O2/c1-14-15(2)19-13-22(18(14)24)12-16-5-8-20(9-6-16)10-11-21-7-3-4-17(21)23/h13,16H,3-12H2,1-2H3
InChIKeyOIOLSAQTBGTSFL-UHFFFAOYSA-N
XLogP1.19
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.19
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-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 5,6-dimethyl-3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one (CID 126941379) is 5,6-dimethyl-3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 5,6-dimethyl-3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 5,6-dimethyl-3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one is Cc1ncn(CC2CCN(CCN3CCCC3=O)CC2)c(=O)c1C.
What is the InChIKey of 5,6-dimethyl-3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is OIOLSAQTBGTSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-14-15(2)19-13-22(18(14)24)12-16-5-8-20(9-6-16)10-11-21-7-3-4-17(21)23/h13,16H,3-12H2,1-2H3.
What are the key properties of 5,6-dimethyl-3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one?
5,6-dimethyl-3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 332.45 g/mol, XLogP of 1.19, 5 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-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126941379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).