1-methyl-3-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrazin-2-one

C14H18N6O — CID 136529599

IUPAC1-methyl-3-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrazin-2-one
SMILESCc1nccc(N2CCN(c3nccn(C)c3=O)CC2)n1
InChIInChI=1S/C14H18N6O/c1-11-15-4-3-12(17-11)19-7-9-20(10-8-19)13-14(21)18(2)6-5-16-13/h3-6H,7-10H2,1-2H3
InChIKeyPYZFKLGRILVLAJ-UHFFFAOYSA-N
MW286.34 g/mol
LogP0.21
Rot. Bonds2

About 1-methyl-3-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrazin-2-one

1-methyl-3-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrazin-2-one (PubChem CID 136529599) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is 1-methyl-3-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrazin-2-one.

Molecular Properties

Compound Name1-methyl-3-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrazin-2-one
PubChem CID136529599
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name1-methyl-3-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrazin-2-one
SMILESCc1nccc(N2CCN(c3nccn(C)c3=O)CC2)n1
InChIInChI=1S/C14H18N6O/c1-11-15-4-3-12(17-11)19-7-9-20(10-8-19)13-14(21)18(2)6-5-16-13/h3-6H,7-10H2,1-2H3
InChIKeyPYZFKLGRILVLAJ-UHFFFAOYSA-N
XLogP0.21
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.21
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-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrazin-2-one?
The IUPAC name of 1-methyl-3-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrazin-2-one (CID 136529599) is 1-methyl-3-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrazin-2-one.
What is the SMILES notation for 1-methyl-3-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrazin-2-one?
The canonical SMILES for 1-methyl-3-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrazin-2-one is Cc1nccc(N2CCN(c3nccn(C)c3=O)CC2)n1.
What is the InChIKey of 1-methyl-3-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrazin-2-one?
The InChIKey is PYZFKLGRILVLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c1-11-15-4-3-12(17-11)19-7-9-20(10-8-19)13-14(21)18(2)6-5-16-13/h3-6H,7-10H2,1-2H3.
What are the key properties of 1-methyl-3-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrazin-2-one?
1-methyl-3-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrazin-2-one has a molecular weight of 286.34 g/mol, XLogP of 0.21, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrazin-2-one is sourced from PubChem (CID 136529599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).