5-methyl-3-[[1-(2-oxo-1H-pyrazin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one

C15H19N5O2 — CID 126940949

IUPAC5-methyl-3-[[1-(2-oxo-1H-pyrazin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCc1cncn(CC2CCN(c3ncc[nH]c3=O)CC2)c1=O
InChIInChI=1S/C15H19N5O2/c1-11-8-16-10-20(15(11)22)9-12-2-6-19(7-3-12)13-14(21)18-5-4-17-13/h4-5,8,10,12H,2-3,6-7,9H2,1H3,(H,18,21)
InChIKeyHSCCFBGLZMDULT-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.55
Rot. Bonds3

About 5-methyl-3-[[1-(2-oxo-1H-pyrazin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one

5-methyl-3-[[1-(2-oxo-1H-pyrazin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126940949) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 5-methyl-3-[[1-(2-oxo-1H-pyrazin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-methyl-3-[[1-(2-oxo-1H-pyrazin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126940949
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name5-methyl-3-[[1-(2-oxo-1H-pyrazin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCc1cncn(CC2CCN(c3ncc[nH]c3=O)CC2)c1=O
InChIInChI=1S/C15H19N5O2/c1-11-8-16-10-20(15(11)22)9-12-2-6-19(7-3-12)13-14(21)18-5-4-17-13/h4-5,8,10,12H,2-3,6-7,9H2,1H3,(H,18,21)
InChIKeyHSCCFBGLZMDULT-UHFFFAOYSA-N
XLogP0.55
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[1-(2-oxo-1H-pyrazin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 5-methyl-3-[[1-(2-oxo-1H-pyrazin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one (CID 126940949) is 5-methyl-3-[[1-(2-oxo-1H-pyrazin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 5-methyl-3-[[1-(2-oxo-1H-pyrazin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 5-methyl-3-[[1-(2-oxo-1H-pyrazin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one is Cc1cncn(CC2CCN(c3ncc[nH]c3=O)CC2)c1=O.
What is the InChIKey of 5-methyl-3-[[1-(2-oxo-1H-pyrazin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is HSCCFBGLZMDULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-11-8-16-10-20(15(11)22)9-12-2-6-19(7-3-12)13-14(21)18-5-4-17-13/h4-5,8,10,12H,2-3,6-7,9H2,1H3,(H,18,21).
What are the key properties of 5-methyl-3-[[1-(2-oxo-1H-pyrazin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
5-methyl-3-[[1-(2-oxo-1H-pyrazin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 301.35 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[1-(2-oxo-1H-pyrazin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126940949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).