[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methanone

C19H24N4O2S — CID 95131723

IUPAC[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methanone
SMILESCc1cc(C)nc(N2CCN(C(=O)c3ccc([C@@H]4CCCO4)s3)CC2)n1
InChIInChI=1S/C19H24N4O2S/c1-13-12-14(2)21-19(20-13)23-9-7-22(8-10-23)18(24)17-6-5-16(26-17)15-4-3-11-25-15/h5-6,12,15H,3-4,7-11H2,1-2H3/t15-/m0/s1
InChIKeyVVRBQCSZPUWTHO-HNNXBMFYSA-N
MW372.49 g/mol
LogP2.97
Rot. Bonds3

About [4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methanone

[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methanone (PubChem CID 95131723) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is [4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methanone.

Molecular Properties

Compound Name[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methanone
PubChem CID95131723
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC Name[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methanone
SMILESCc1cc(C)nc(N2CCN(C(=O)c3ccc([C@@H]4CCCO4)s3)CC2)n1
InChIInChI=1S/C19H24N4O2S/c1-13-12-14(2)21-19(20-13)23-9-7-22(8-10-23)18(24)17-6-5-16(26-17)15-4-3-11-25-15/h5-6,12,15H,3-4,7-11H2,1-2H3/t15-/m0/s1
InChIKeyVVRBQCSZPUWTHO-HNNXBMFYSA-N
XLogP2.97
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methanone with MolForge

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Related Compounds

[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-[5-[(2R)-oxolan-2-yl]thiophen-2-yl]methanone
CID 97155055
[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methanone
CID 97155054
[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methanone
CID 95896182
1-oxa-8-azaspiro[4.5]decan-8-yl-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methanone
CID 95525281
[5-(oxolan-2-yl)thiophen-2-yl]-(4-pyridin-4-yloxypiperidin-1-yl)methanone
CID 72842150
(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methanone
CID 97124840
5-[5-[(2R)-oxolan-2-yl]thiophene-2-carbonyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carbonitrile
CID 95126713
[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 121031849
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
formic acid;1-(2-methylpropyl)-8-[5-(oxolan-2-yl)thiophene-2-carbonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 171325661
N-(2,3-dihydro-1H-inden-2-yl)-5-[(2R)-oxolan-2-yl]thiophene-2-carboxamide
CID 97147711

Frequently Asked Questions

What is the IUPAC name of [4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methanone?
The IUPAC name of [4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methanone (CID 95131723) is [4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methanone.
What is the SMILES notation for [4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methanone?
The canonical SMILES for [4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methanone is Cc1cc(C)nc(N2CCN(C(=O)c3ccc([C@@H]4CCCO4)s3)CC2)n1.
What is the InChIKey of [4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methanone?
The InChIKey is VVRBQCSZPUWTHO-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-13-12-14(2)21-19(20-13)23-9-7-22(8-10-23)18(24)17-6-5-16(26-17)15-4-3-11-25-15/h5-6,12,15H,3-4,7-11H2,1-2H3/t15-/m0/s1.
What are the key properties of [4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methanone?
[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methanone has a molecular weight of 372.49 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methanone is sourced from PubChem (CID 95131723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).