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

C16H24N4O2 — CID 126941388

IUPAC5,6-dimethyl-3-[[1-(2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCc1ncn(CC2CCN(C3CCNC3=O)CC2)c(=O)c1C
InChIInChI=1S/C16H24N4O2/c1-11-12(2)18-10-20(16(11)22)9-13-4-7-19(8-5-13)14-3-6-17-15(14)21/h10,13-14H,3-9H2,1-2H3,(H,17,21)
InChIKeyDRSAYIHJHANGRF-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.46
Rot. Bonds3

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

5,6-dimethyl-3-[[1-(2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126941388) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 5,6-dimethyl-3-[[1-(2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dimethyl-3-[[1-(2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126941388
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name5,6-dimethyl-3-[[1-(2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCc1ncn(CC2CCN(C3CCNC3=O)CC2)c(=O)c1C
InChIInChI=1S/C16H24N4O2/c1-11-12(2)18-10-20(16(11)22)9-13-4-7-19(8-5-13)14-3-6-17-15(14)21/h10,13-14H,3-9H2,1-2H3,(H,17,21)
InChIKeyDRSAYIHJHANGRF-UHFFFAOYSA-N
XLogP0.46
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[[1-(2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 5,6-dimethyl-3-[[1-(2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one (CID 126941388) is 5,6-dimethyl-3-[[1-(2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 5,6-dimethyl-3-[[1-(2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 5,6-dimethyl-3-[[1-(2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one is Cc1ncn(CC2CCN(C3CCNC3=O)CC2)c(=O)c1C.
What is the InChIKey of 5,6-dimethyl-3-[[1-(2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is DRSAYIHJHANGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-11-12(2)18-10-20(16(11)22)9-13-4-7-19(8-5-13)14-3-6-17-15(14)21/h10,13-14H,3-9H2,1-2H3,(H,17,21).
What are the key properties of 5,6-dimethyl-3-[[1-(2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
5,6-dimethyl-3-[[1-(2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 304.39 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[[1-(2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126941388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).