6-piperazin-1-yl-3H-pyrimidin-4-one

HCID 136102540

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Basic information

Standard SMILES: O=c1cc(N2CCNCC2)nc[nH]1
InChIKey: QUGKXFORSQQHDI-UHFFFAOYSA-N
Molecular formula: C8H12N4O
Average molar mass: 180.21 g/mol

Names & identifiers

Preferred name: 6-piperazin-1-yl-3H-pyrimidin-4-one
IUPAC: 4-piperazin-1-yl-1H-pyrimidin-6-one

Names & synonyms

1159568-13-46-piperazin-1-yl-3H-pyrimidin-4-one4-piperazin-1-yl-1H-pyrimidin-6-one6-(piperazin-1-yl)-3,4-dihydropyrimidin-4-one4(3h)-pyrimidinone, 6-(1-piperazinyl)-SCHEMBL2915396SCHEMBL26669648QUGKXFORSQQHDI-UHFFFAOYSA-NAKOS0159449154-Hydroxy-6-(piperazin-1-yl)pyrimidine4(3h)-pyrimidinone,6-(1-piperazinyl)-CS-42674

Show more names

EN300-767068A1-10383

Database identifiers

PubChem CID: 136102540

Properties

Computed structural properties

XLogP: -1
Topological polar surface area: 56.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 265

Related reactions

110 records

New reaction record

HRID 91263As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 116526As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 133949As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 137779As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 143665As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 156946As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 162621As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 164258As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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