[5-methyl-4-(1-thiophen-2-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

C21H27N5OS2 — CID 45236570

IUPAC[5-methyl-4-(1-thiophen-2-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCc1c(C(=O)N2CCN(C(C)C)CC2)sc2ncnc(NC(C)c3cccs3)c12
InChIInChI=1S/C21H27N5OS2/c1-13(2)25-7-9-26(10-8-25)21(27)18-14(3)17-19(22-12-23-20(17)29-18)24-15(4)16-6-5-11-28-16/h5-6,11-13,15H,7-10H2,1-4H3,(H,22,23,24)
InChIKeyXACOAXWRIKAULA-UHFFFAOYSA-N
MW429.62 g/mol
LogP4.40
Rot. Bonds5

About [5-methyl-4-(1-thiophen-2-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

[5-methyl-4-(1-thiophen-2-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 45236570) has the molecular formula C21H27N5OS2 and a molecular weight of 429.62 g/mol. Its IUPAC name is [5-methyl-4-(1-thiophen-2-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-methyl-4-(1-thiophen-2-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID45236570
Molecular FormulaC21H27N5OS2
Molecular Weight429.62 g/mol
Exact Mass429.17
IUPAC Name[5-methyl-4-(1-thiophen-2-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCc1c(C(=O)N2CCN(C(C)C)CC2)sc2ncnc(NC(C)c3cccs3)c12
InChIInChI=1S/C21H27N5OS2/c1-13(2)25-7-9-26(10-8-25)21(27)18-14(3)17-19(22-12-23-20(17)29-18)24-15(4)16-6-5-11-28-16/h5-6,11-13,15H,7-10H2,1-4H3,(H,22,23,24)
InChIKeyXACOAXWRIKAULA-UHFFFAOYSA-N
XLogP4.40
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.62
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [5-methyl-4-(1-thiophen-2-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

[5-methyl-4-(1-thiophen-2-ylpropylamino)thieno[2,3-d]pyrimidin-6-yl]-pyrrolidin-1-ylmethanone
CID 45246478
N-(2-acetamidoethyl)-5-methyl-4-[[(1R)-1-thiophen-2-ylethyl]amino]thieno[2,3-d]pyrimidine-6-carboxamide
CID 26334572
[4-(hydroxymethyl)piperidin-1-yl]-[5-methyl-4-[[(1R)-1-thiophen-2-ylpropyl]amino]thieno[2,3-d]pyrimidin-6-yl]methanone
CID 42429170
5-methyl-N-(2-pyridin-4-ylethyl)-4-[[(1R)-1-thiophen-2-ylethyl]amino]thieno[2,3-d]pyrimidine-6-carboxamide
CID 42247445
5-methyl-N-(3-pyridin-4-ylpropyl)-4-(1-thiophen-2-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 45198809
3,4-dihydro-1H-isoquinolin-2-yl-[5-methyl-4-(thiophen-2-ylmethylamino)thieno[2,3-d]pyrimidin-6-yl]methanone
CID 26341898
[5-methyl-4-[(5-methylfuran-2-yl)methylamino]thieno[2,3-d]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone
CID 29085791
[4-(4-fluoro-2-methoxyanilino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone
CID 138580820
[(1S)-2-[(6-ethoxycarbonyl-5-methylthieno[2,3-d]pyrimidin-4-yl)amino]-1-thiophen-2-ylethyl]-dimethylazanium
CID 2536608
[5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone
CID 4154221
N,5-dimethyl-4-(pyridin-2-ylmethylamino)-N-(1-thiophen-2-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 45227243
[5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 46344660

Frequently Asked Questions

What is the IUPAC name of [5-methyl-4-(1-thiophen-2-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [5-methyl-4-(1-thiophen-2-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (CID 45236570) is [5-methyl-4-(1-thiophen-2-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-methyl-4-(1-thiophen-2-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [5-methyl-4-(1-thiophen-2-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is Cc1c(C(=O)N2CCN(C(C)C)CC2)sc2ncnc(NC(C)c3cccs3)c12.
What is the InChIKey of [5-methyl-4-(1-thiophen-2-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is XACOAXWRIKAULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5OS2/c1-13(2)25-7-9-26(10-8-25)21(27)18-14(3)17-19(22-12-23-20(17)29-18)24-15(4)16-6-5-11-28-16/h5-6,11-13,15H,7-10H2,1-4H3,(H,22,23,24).
What are the key properties of [5-methyl-4-(1-thiophen-2-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
[5-methyl-4-(1-thiophen-2-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 429.62 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-4-(1-thiophen-2-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 45236570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).