6-methyl-4-(2-piperazin-1-ylethyl)-1H-pyrimidin-2-one

C11H18N4O — CID 82473059

IUPAC6-methyl-4-(2-piperazin-1-ylethyl)-1H-pyrimidin-2-one
SMILESCc1cc(CCN2CCNCC2)nc(=O)[nH]1
InChIInChI=1S/C11H18N4O/c1-9-8-10(14-11(16)13-9)2-5-15-6-3-12-4-7-15/h8,12H,2-7H2,1H3,(H,13,14,16)
InChIKeyWVNDSIXCSQMQJR-UHFFFAOYSA-N
MW222.29 g/mol
LogP-0.47
Rot. Bonds3

About 6-methyl-4-(2-piperazin-1-ylethyl)-1H-pyrimidin-2-one

6-methyl-4-(2-piperazin-1-ylethyl)-1H-pyrimidin-2-one (PubChem CID 82473059) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 6-methyl-4-(2-piperazin-1-ylethyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-methyl-4-(2-piperazin-1-ylethyl)-1H-pyrimidin-2-one
PubChem CID82473059
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name6-methyl-4-(2-piperazin-1-ylethyl)-1H-pyrimidin-2-one
SMILESCc1cc(CCN2CCNCC2)nc(=O)[nH]1
InChIInChI=1S/C11H18N4O/c1-9-8-10(14-11(16)13-9)2-5-15-6-3-12-4-7-15/h8,12H,2-7H2,1H3,(H,13,14,16)
InChIKeyWVNDSIXCSQMQJR-UHFFFAOYSA-N
XLogP-0.47
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-4-(2-piperidin-4-ylethyl)-1H-pyrimidin-2-one
CID 83858521
4,6-dimethyl-2-(2-piperazin-1-ylethyl)pyrimidine
CID 82472710
2-methyl-4-(2-piperazin-1-ylethyl)-1,3-thiazole
CID 82065439
1-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]piperazine
CID 23506697
6-methyl-4-(4-piperazin-1-ylphenyl)-1H-pyrimidin-2-one
CID 96667655
6-methyl-4-(piperazine-1-carbonyl)-1H-pyrimidin-2-one
CID 82509419
1-[2-(5-bromo-1-methylpyrazol-3-yl)ethyl]piperazine
CID 83904098
1-[2-(5-methyl-2-pyridinyl)ethyl]piperazine
CID 20791668
6-methyl-4-(methylaminomethyl)-1H-pyrimidin-2-one
CID 82467833
1-[2-(2,4,6-trimethylphenyl)ethyl]piperazine
CID 15391878
4-(2-amino-2-methylpropyl)-6-methyl-1H-pyrimidin-2-one
CID 83858524
4-(2-piperazin-1-ylethyl)-1,3-thiazol-2-amine
CID 82508561

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(2-piperazin-1-ylethyl)-1H-pyrimidin-2-one?
The IUPAC name of 6-methyl-4-(2-piperazin-1-ylethyl)-1H-pyrimidin-2-one (CID 82473059) is 6-methyl-4-(2-piperazin-1-ylethyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-methyl-4-(2-piperazin-1-ylethyl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-methyl-4-(2-piperazin-1-ylethyl)-1H-pyrimidin-2-one is Cc1cc(CCN2CCNCC2)nc(=O)[nH]1.
What is the InChIKey of 6-methyl-4-(2-piperazin-1-ylethyl)-1H-pyrimidin-2-one?
The InChIKey is WVNDSIXCSQMQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-9-8-10(14-11(16)13-9)2-5-15-6-3-12-4-7-15/h8,12H,2-7H2,1H3,(H,13,14,16).
What are the key properties of 6-methyl-4-(2-piperazin-1-ylethyl)-1H-pyrimidin-2-one?
6-methyl-4-(2-piperazin-1-ylethyl)-1H-pyrimidin-2-one has a molecular weight of 222.29 g/mol, XLogP of -0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(2-piperazin-1-ylethyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 82473059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).