[4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone

C21H23N5OS — CID 71514588

IUPAC[4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
SMILESNc1nc(N2CCN(C(=O)C3CCc4ccccc4C3)CC2)c2ccsc2n1
InChIInChI=1S/C21H23N5OS/c22-21-23-18(17-7-12-28-19(17)24-21)25-8-10-26(11-9-25)20(27)16-6-5-14-3-1-2-4-15(14)13-16/h1-4,7,12,16H,5-6,8-11,13H2,(H2,22,23,24)
InChIKeyVFMUNUDKAFSDNE-UHFFFAOYSA-N
MW393.52 g/mol
LogP2.73
Rot. Bonds2

About [4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone

[4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone (PubChem CID 71514588) has the molecular formula C21H23N5OS and a molecular weight of 393.52 g/mol. Its IUPAC name is [4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone.

Molecular Properties

Compound Name[4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
PubChem CID71514588
Molecular FormulaC21H23N5OS
Molecular Weight393.52 g/mol
Exact Mass393.16
IUPAC Name[4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
SMILESNc1nc(N2CCN(C(=O)C3CCc4ccccc4C3)CC2)c2ccsc2n1
InChIInChI=1S/C21H23N5OS/c22-21-23-18(17-7-12-28-19(17)24-21)25-8-10-26(11-9-25)20(27)16-6-5-14-3-1-2-4-15(14)13-16/h1-4,7,12,16H,5-6,8-11,13H2,(H2,22,23,24)
InChIKeyVFMUNUDKAFSDNE-UHFFFAOYSA-N
XLogP2.73
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.52
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbonyl]piperidine-1-carboxylic acid
CID 118611809
4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103323791
[4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone
CID 118611826
3-[4-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]-1H-pyrazin-2-one
CID 90648563
1-[4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 46231786
4-(4,4-dimethylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103327459
4-(2-aminothieno[2,3-d]pyrimidin-4-yl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 118611759
[(3R)-3-aminopyrrolidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 107127292
[1-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methanol
CID 103325517
(3-aminocyclopentyl)-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 119842588
2-amino-4-[4-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperazin-1-yl]thieno[2,3-d]pyrimidine-5-carboxylic acid
CID 118611748
4-(4-butan-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103327357

Frequently Asked Questions

What is the IUPAC name of [4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone?
The IUPAC name of [4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone (CID 71514588) is [4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone.
What is the SMILES notation for [4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone?
The canonical SMILES for [4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone is Nc1nc(N2CCN(C(=O)C3CCc4ccccc4C3)CC2)c2ccsc2n1.
What is the InChIKey of [4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone?
The InChIKey is VFMUNUDKAFSDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5OS/c22-21-23-18(17-7-12-28-19(17)24-21)25-8-10-26(11-9-25)20(27)16-6-5-14-3-1-2-4-15(14)13-16/h1-4,7,12,16H,5-6,8-11,13H2,(H2,22,23,24).
What are the key properties of [4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone?
[4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone has a molecular weight of 393.52 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone is sourced from PubChem (CID 71514588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).