1-methyl-3-[4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]pyrazin-2-one

C16H21N5O2 — CID 126940744

IUPAC1-methyl-3-[4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]pyrazin-2-one
SMILESCc1cncn(CC2CCN(c3nccn(C)c3=O)CC2)c1=O
InChIInChI=1S/C16H21N5O2/c1-12-9-17-11-21(15(12)22)10-13-3-6-20(7-4-13)14-16(23)19(2)8-5-18-14/h5,8-9,11,13H,3-4,6-7,10H2,1-2H3
InChIKeyOKOIKJIVGSWILK-UHFFFAOYSA-N
MW315.38 g/mol
LogP0.56
Rot. Bonds3

About 1-methyl-3-[4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]pyrazin-2-one

1-methyl-3-[4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]pyrazin-2-one (PubChem CID 126940744) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 1-methyl-3-[4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]pyrazin-2-one.

Molecular Properties

Compound Name1-methyl-3-[4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]pyrazin-2-one
PubChem CID126940744
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name1-methyl-3-[4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]pyrazin-2-one
SMILESCc1cncn(CC2CCN(c3nccn(C)c3=O)CC2)c1=O
InChIInChI=1S/C16H21N5O2/c1-12-9-17-11-21(15(12)22)10-13-3-6-20(7-4-13)14-16(23)19(2)8-5-18-14/h5,8-9,11,13H,3-4,6-7,10H2,1-2H3
InChIKeyOKOIKJIVGSWILK-UHFFFAOYSA-N
XLogP0.56
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]pyrazin-2-one?
The IUPAC name of 1-methyl-3-[4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]pyrazin-2-one (CID 126940744) is 1-methyl-3-[4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]pyrazin-2-one.
What is the SMILES notation for 1-methyl-3-[4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]pyrazin-2-one?
The canonical SMILES for 1-methyl-3-[4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]pyrazin-2-one is Cc1cncn(CC2CCN(c3nccn(C)c3=O)CC2)c1=O.
What is the InChIKey of 1-methyl-3-[4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]pyrazin-2-one?
The InChIKey is OKOIKJIVGSWILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-12-9-17-11-21(15(12)22)10-13-3-6-20(7-4-13)14-16(23)19(2)8-5-18-14/h5,8-9,11,13H,3-4,6-7,10H2,1-2H3.
What are the key properties of 1-methyl-3-[4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]pyrazin-2-one?
1-methyl-3-[4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]pyrazin-2-one has a molecular weight of 315.38 g/mol, XLogP of 0.56, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]pyrazin-2-one is sourced from PubChem (CID 126940744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).