bis(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone

C21H22N8OS2 — CID 174973437

IUPACbis(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone
SMILESO=C(N1CCN(c2ncnc3sccc23)CC1)N1CCN(c2ncnc3sccc23)CC1
InChIInChI=1S/C21H22N8OS2/c30-21(28-7-3-26(4-8-28)17-15-1-11-31-19(15)24-13-22-17)29-9-5-27(6-10-29)18-16-2-12-32-20(16)25-14-23-18/h1-2,11-14H,3-10H2
InChIKeyREJDFPPAZRZXKK-UHFFFAOYSA-N
MW466.60 g/mol
LogP2.76
Rot. Bonds2

About bis(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone

bis(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone (PubChem CID 174973437) has the molecular formula C21H22N8OS2 and a molecular weight of 466.60 g/mol. Its IUPAC name is bis(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Namebis(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone
PubChem CID174973437
Molecular FormulaC21H22N8OS2
Molecular Weight466.60 g/mol
Exact Mass466.14
IUPAC Namebis(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone
SMILESO=C(N1CCN(c2ncnc3sccc23)CC1)N1CCN(c2ncnc3sccc23)CC1
InChIInChI=1S/C21H22N8OS2/c30-21(28-7-3-26(4-8-28)17-15-1-11-31-19(15)24-13-22-17)29-9-5-27(6-10-29)18-16-2-12-32-20(16)25-14-23-18/h1-2,11-14H,3-10H2
InChIKeyREJDFPPAZRZXKK-UHFFFAOYSA-N
XLogP2.76
TPSA81.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.60
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

(2R)-2-amino-1-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 119842603
5-(4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carbonyl)pyrazine-2-carboxylic acid
CID 120684892
(4-methylphenyl)-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 20849648
4-thieno[2,3-d]pyrimidin-4-ylmorpholine
CID 2457329
(3-aminocyclopentyl)-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 119842588
2-(4-aminophenyl)-1-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethanone
CID 119842582
(1-aminocyclohexyl)-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone;dihydrochloride
CID 119842621
2-methoxy-2-methyl-3-oxo-3-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propanoic acid
CID 136552694
2-cyclopropyl-2-methoxy-1-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethanone
CID 136538650
[2-(aminomethyl)-1,3-thiazol-4-yl]-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 119842616
1-thieno[2,3-d]pyrimidin-4-ylpiperidine-4-carboxamide
CID 2098585
2-amino-3-phenyl-1-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 119842585

Frequently Asked Questions

What is the IUPAC name of bis(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone?
The IUPAC name of bis(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone (CID 174973437) is bis(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone.
What is the SMILES notation for bis(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone?
The canonical SMILES for bis(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone is O=C(N1CCN(c2ncnc3sccc23)CC1)N1CCN(c2ncnc3sccc23)CC1.
What is the InChIKey of bis(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone?
The InChIKey is REJDFPPAZRZXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N8OS2/c30-21(28-7-3-26(4-8-28)17-15-1-11-31-19(15)24-13-22-17)29-9-5-27(6-10-29)18-16-2-12-32-20(16)25-14-23-18/h1-2,11-14H,3-10H2.
What are the key properties of bis(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone?
bis(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone has a molecular weight of 466.60 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 174973437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).