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

C25H24N4OS — CID 10202847

IUPAC[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(4-phenylphenyl)methanone
SMILESCCc1cc2c(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)ncnc2s1
InChIInChI=1S/C25H24N4OS/c1-2-21-16-22-23(26-17-27-24(22)31-21)28-12-14-29(15-13-28)25(30)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-11,16-17H,2,12-15H2,1H3
InChIKeyMBBUFEHSVSCHJP-UHFFFAOYSA-N
MW428.56 g/mol
LogP4.88
Rot. Bonds4

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

[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(4-phenylphenyl)methanone (PubChem CID 10202847) has the molecular formula C25H24N4OS and a molecular weight of 428.56 g/mol. Its IUPAC name is [4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(4-phenylphenyl)methanone.

Molecular Properties

Compound Name[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(4-phenylphenyl)methanone
PubChem CID10202847
Molecular FormulaC25H24N4OS
Molecular Weight428.56 g/mol
Exact Mass428.17
IUPAC Name[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(4-phenylphenyl)methanone
SMILESCCc1cc2c(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)ncnc2s1
InChIInChI=1S/C25H24N4OS/c1-2-21-16-22-23(26-17-27-24(22)31-21)28-12-14-29(15-13-28)25(30)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-11,16-17H,2,12-15H2,1H3
InChIKeyMBBUFEHSVSCHJP-UHFFFAOYSA-N
XLogP4.88
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.56
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Thieno[2,3-d]pyrimidine, 21c
CID 11290334
1-[4-(7-Thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-yl)piperazin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone
CID 90644284
6-(4-aminothieno[2,3-d]pyrimidin-5-yl)-N-phenylnaphthalene-1-carboxamide
CID 86302541
Thienopyrimidine deriv. 7
CID 6539969
N-(4-{4-aminothieno[2,3-d]pyrimidin-5-yl}phenyl)benzamide
CID 25023775
(S)-2-(4-(dimethylcarbamoyl)phenyl)-4-(piperidin-3-ylamino)thieno[3,2-c]pyridine-7-carboxamide
CID 50925626
N-[2-(dimethylamino)ethyl]-3-[4-[[(1R)-1-phenylethyl]amino]thieno[2,3-d]pyrimidin-6-yl]benzamide
CID 127025790
2-[(6-Phenylthieno[2,3-d]pyrimidin-4-yl)-propan-2-ylamino]acetamide
CID 2556904
4-Fluoro-N-(6,7,8,9-tetrahydro-5H-10-thia-1,3-diaza-benzo[a]azulen-4-yl)-benzamide
CID 947221
1-Methyl-4-{5-[4-(propan-2-yl)phenyl]thieno[2,3-d]pyrimidin-4-yl}piperazine
CID 982623
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxypropyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 4162441
1-(4-(6-Ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl)-2-phenylethanone
CID 9969173

Frequently Asked Questions

What is the IUPAC name of [4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(4-phenylphenyl)methanone?
The IUPAC name of [4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(4-phenylphenyl)methanone (CID 10202847) is [4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(4-phenylphenyl)methanone.
What is the SMILES notation for [4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(4-phenylphenyl)methanone?
The canonical SMILES for [4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(4-phenylphenyl)methanone is CCc1cc2c(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)ncnc2s1.
What is the InChIKey of [4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(4-phenylphenyl)methanone?
The InChIKey is MBBUFEHSVSCHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4OS/c1-2-21-16-22-23(26-17-27-24(22)31-21)28-12-14-29(15-13-28)25(30)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-11,16-17H,2,12-15H2,1H3.
What are the key properties of [4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(4-phenylphenyl)methanone?
[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(4-phenylphenyl)methanone has a molecular weight of 428.56 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(4-phenylphenyl)methanone is sourced from PubChem (CID 10202847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).