2-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone

C19H28N6OS — CID 51001301

IUPAC2-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCCc1cc2c(N3CCN(CC(=O)N4CCN(C)CC4)CC3)ncnc2s1
InChIInChI=1S/C19H28N6OS/c1-3-15-12-16-18(20-14-21-19(16)27-15)25-10-6-23(7-11-25)13-17(26)24-8-4-22(2)5-9-24/h12,14H,3-11,13H2,1-2H3
InChIKeyCYCVICMTFWYLRA-UHFFFAOYSA-N
MW388.54 g/mol
LogP1.15
Rot. Bonds4

About 2-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone

2-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 51001301) has the molecular formula C19H28N6OS and a molecular weight of 388.54 g/mol. Its IUPAC name is 2-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID51001301
Molecular FormulaC19H28N6OS
Molecular Weight388.54 g/mol
Exact Mass388.20
IUPAC Name2-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCCc1cc2c(N3CCN(CC(=O)N4CCN(C)CC4)CC3)ncnc2s1
InChIInChI=1S/C19H28N6OS/c1-3-15-12-16-18(20-14-21-19(16)27-15)25-10-6-23(7-11-25)13-17(26)24-8-4-22(2)5-9-24/h12,14H,3-11,13H2,1-2H3
InChIKeyCYCVICMTFWYLRA-UHFFFAOYSA-N
XLogP1.15
TPSA55.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-(5,5-Dimethyl-4,5-dihydrothiazol-2-yl)piperazin-1-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
CID 72201086
4-(4-(5,5-Dimethyl-4,5-dihydrothiazol-2-yl)piperazin-1-yl)-6-propylthieno[2,3-d]pyrimidine
CID 54765302
4-[4-(5,5-Dimethyl-4,5-Dihydro-1,3-Thiazol-2-Yl)piperazin-1-Yl]-6-(Pentafluoroethyl)thieno[2,3-D]pyrimidine
CID 90453135
4-[4-(5,5-Dimethyl-4,5-Dihydro-1,3-Thiazol-2-Yl)piperazin-1-Yl]-6-(2-Fluoroethyl)thieno[2,3-D]pyrimidine
CID 91864570
6-(2,2-Difluoroethyl)-4-[4-(5,5-Dimethyl-4,5-Dihydro-1,3-Thiazol-2-Yl)piperazin-1-Yl]thieno[2,3-D]pyrimidine
CID 122189305
2-[(6-Phenylthieno[2,3-d]pyrimidin-4-yl)-propan-2-ylamino]acetamide
CID 2556904
N-cyclopentyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide
CID 16316041
1-(4-(6-Ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl)-2-phenylethanone
CID 9969173
Biphenyl-4-yl(4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl)methanone
CID 10202847
4-((2-(2-aminopyrimidin-5-yl)-4-morpholinothieno[2,3-d]pyrimidin-6-yl)methyl)-N,N-dimethylpiperazine-1-carboxamide
CID 24947414
1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]prop-2-en-1-one
CID 49788366
1-[3-[[(1R)-1-phenylpropyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]prop-2-en-1-one
CID 49788425

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone (CID 51001301) is 2-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone is CCc1cc2c(N3CCN(CC(=O)N4CCN(C)CC4)CC3)ncnc2s1.
What is the InChIKey of 2-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is CYCVICMTFWYLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6OS/c1-3-15-12-16-18(20-14-21-19(16)27-15)25-10-6-23(7-11-25)13-17(26)24-8-4-22(2)5-9-24/h12,14H,3-11,13H2,1-2H3.
What are the key properties of 2-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone?
2-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 388.54 g/mol, XLogP of 1.15, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 51001301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).