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

C17H23N5O2 — CID 126940815

IUPAC5-methyl-3-[[1-[2-(2-oxopyrimidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCc1cncn(CC2CCN(CCn3cccnc3=O)CC2)c1=O
InChIInChI=1S/C17H23N5O2/c1-14-11-18-13-22(16(14)23)12-15-3-7-20(8-4-15)9-10-21-6-2-5-19-17(21)24/h2,5-6,11,13,15H,3-4,7-10,12H2,1H3
InChIKeyIWEWRPCNQDLINE-UHFFFAOYSA-N
MW329.40 g/mol
LogP0.52
Rot. Bonds5

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

5-methyl-3-[[1-[2-(2-oxopyrimidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126940815) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 5-methyl-3-[[1-[2-(2-oxopyrimidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-methyl-3-[[1-[2-(2-oxopyrimidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126940815
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name5-methyl-3-[[1-[2-(2-oxopyrimidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCc1cncn(CC2CCN(CCn3cccnc3=O)CC2)c1=O
InChIInChI=1S/C17H23N5O2/c1-14-11-18-13-22(16(14)23)12-15-3-7-20(8-4-15)9-10-21-6-2-5-19-17(21)24/h2,5-6,11,13,15H,3-4,7-10,12H2,1H3
InChIKeyIWEWRPCNQDLINE-UHFFFAOYSA-N
XLogP0.52
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[1-[2-(2-oxopyrimidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 5-methyl-3-[[1-[2-(2-oxopyrimidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one (CID 126940815) is 5-methyl-3-[[1-[2-(2-oxopyrimidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 5-methyl-3-[[1-[2-(2-oxopyrimidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 5-methyl-3-[[1-[2-(2-oxopyrimidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one is Cc1cncn(CC2CCN(CCn3cccnc3=O)CC2)c1=O.
What is the InChIKey of 5-methyl-3-[[1-[2-(2-oxopyrimidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is IWEWRPCNQDLINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-14-11-18-13-22(16(14)23)12-15-3-7-20(8-4-15)9-10-21-6-2-5-19-17(21)24/h2,5-6,11,13,15H,3-4,7-10,12H2,1H3.
What are the key properties of 5-methyl-3-[[1-[2-(2-oxopyrimidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one?
5-methyl-3-[[1-[2-(2-oxopyrimidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 329.40 g/mol, XLogP of 0.52, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[1-[2-(2-oxopyrimidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126940815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).