[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-(1-methylcyclopent-2-en-1-yl)methanone

C17H24N4O — CID 146077638

IUPAC[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-(1-methylcyclopent-2-en-1-yl)methanone
SMILESCc1cc(C)nc(N2CCN(C(=O)C3(C)C=CCC3)CC2)n1
InChIInChI=1S/C17H24N4O/c1-13-12-14(2)19-16(18-13)21-10-8-20(9-11-21)15(22)17(3)6-4-5-7-17/h4,6,12H,5,7-11H2,1-3H3
InChIKeyFUUOZYHZAOGSDQ-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.10
Rot. Bonds2

About [4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-(1-methylcyclopent-2-en-1-yl)methanone

[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-(1-methylcyclopent-2-en-1-yl)methanone (PubChem CID 146077638) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is [4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-(1-methylcyclopent-2-en-1-yl)methanone.

Molecular Properties

Compound Name[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-(1-methylcyclopent-2-en-1-yl)methanone
PubChem CID146077638
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-(1-methylcyclopent-2-en-1-yl)methanone
SMILESCc1cc(C)nc(N2CCN(C(=O)C3(C)C=CCC3)CC2)n1
InChIInChI=1S/C17H24N4O/c1-13-12-14(2)19-16(18-13)21-10-8-20(9-11-21)15(22)17(3)6-4-5-7-17/h4,6,12H,5,7-11H2,1-3H3
InChIKeyFUUOZYHZAOGSDQ-UHFFFAOYSA-N
XLogP2.10
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

bis[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 150598584
[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 3433092
1,4-bis(4,6-dimethylpyrimidin-2-yl)-1,4-diazepane
CID 99786904
1-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]ethanone
CID 40829090
[(3aR,6aR)-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-yl]-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 50965495
1-(4,6-dimethylpyrimidin-2-yl)-N,4-dimethylpiperidin-4-amine
CID 113283149
[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95828779
1-[4-[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112914873
(4,4-difluoropiperidin-1-yl)-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methanone
CID 155975803
1-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 56820365
1-adamantyl-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122339971
1-[4-[4-(tert-butylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone
CID 112915012

Frequently Asked Questions

What is the IUPAC name of [4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-(1-methylcyclopent-2-en-1-yl)methanone?
The IUPAC name of [4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-(1-methylcyclopent-2-en-1-yl)methanone (CID 146077638) is [4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-(1-methylcyclopent-2-en-1-yl)methanone.
What is the SMILES notation for [4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-(1-methylcyclopent-2-en-1-yl)methanone?
The canonical SMILES for [4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-(1-methylcyclopent-2-en-1-yl)methanone is Cc1cc(C)nc(N2CCN(C(=O)C3(C)C=CCC3)CC2)n1.
What is the InChIKey of [4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-(1-methylcyclopent-2-en-1-yl)methanone?
The InChIKey is FUUOZYHZAOGSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-13-12-14(2)19-16(18-13)21-10-8-20(9-11-21)15(22)17(3)6-4-5-7-17/h4,6,12H,5,7-11H2,1-3H3.
What are the key properties of [4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-(1-methylcyclopent-2-en-1-yl)methanone?
[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-(1-methylcyclopent-2-en-1-yl)methanone has a molecular weight of 300.41 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-(1-methylcyclopent-2-en-1-yl)methanone is sourced from PubChem (CID 146077638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).