ethane;[2-[2-(4-hydroxyphenyl)ethylamino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone

C21H26N4O2S — CID 142540412

IUPACethane;[2-[2-(4-hydroxyphenyl)ethylamino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCC.O=C(c1nc(NCCc2ccc(O)cc2)nc2ccsc12)N1CCCC1
InChIInChI=1S/C19H20N4O2S.C2H6/c24-14-5-3-13(4-6-14)7-9-20-19-21-15-8-12-26-17(15)16(22-19)18(25)23-10-1-2-11-23;1-2/h3-6,8,12,24H,1-2,7,9-11H2,(H,20,21,22);1-2H3
InChIKeyPESSNXCZFLZIHD-UHFFFAOYSA-N
MW398.53 g/mol
LogP4.31
Rot. Bonds5

About ethane;[2-[2-(4-hydroxyphenyl)ethylamino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone

ethane;[2-[2-(4-hydroxyphenyl)ethylamino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 142540412) has the molecular formula C21H26N4O2S and a molecular weight of 398.53 g/mol. Its IUPAC name is ethane;[2-[2-(4-hydroxyphenyl)ethylamino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Nameethane;[2-[2-(4-hydroxyphenyl)ethylamino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID142540412
Molecular FormulaC21H26N4O2S
Molecular Weight398.53 g/mol
Exact Mass398.18
IUPAC Nameethane;[2-[2-(4-hydroxyphenyl)ethylamino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCC.O=C(c1nc(NCCc2ccc(O)cc2)nc2ccsc12)N1CCCC1
InChIInChI=1S/C19H20N4O2S.C2H6/c24-14-5-3-13(4-6-14)7-9-20-19-21-15-8-12-26-17(15)16(22-19)18(25)23-10-1-2-11-23;1-2/h3-6,8,12,24H,1-2,7,9-11H2,(H,20,21,22);1-2H3
InChIKeyPESSNXCZFLZIHD-UHFFFAOYSA-N
XLogP4.31
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethane;[2-[2-(4-hydroxyphenyl)ethylamino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Aminobenzimidazole with trans-stilbene, 8s
CID 25190562
N-[1-[4-[(3-hydroxyphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-2-methylindol-4-yl]thiophene-2-carboxamide
CID 168272509
[2-[(3-Fluorophenyl)methylamino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 137538808
2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-N-[2-(2-hydroxyphenyl)ethyl]thieno[3,2-d]pyrimidine-4-carboxamide
CID 137539149
2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-N-[3-(4-methoxyphenyl)propyl]thieno[3,2-d]pyrimidine-4-carboxamide
CID 137539301
[2-[(3-Fluoro-5-methoxyphenyl)methylamino]thieno[3,2-d]pyrimidin-4-yl]-(3-hydroxyazetidin-1-yl)methanone
CID 137539510
2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-N-[2-(4-hydroxyphenyl)ethyl]thieno[3,2-d]pyrimidine-4-carboxamide
CID 137539591
[2-[(3-Fluoro-5-methoxyphenyl)methylamino]thieno[3,2-d]pyrimidin-4-yl]-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 137539763
[2-[(3-fluorophenyl)methylamino]thieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 142540171
[2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 142540244
2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-N-[2-(3-hydroxyphenyl)ethyl]thieno[3,2-d]pyrimidine-4-carboxamide
CID 150785059
2-[[(1S)-1-(2-fluoro-4-pyridinyl)ethyl]amino]-N-[2-(4-hydroxyphenyl)ethyl]thieno[3,2-d]pyrimidine-4-carboxamide
CID 151102361

Frequently Asked Questions

What is the IUPAC name of ethane;[2-[2-(4-hydroxyphenyl)ethylamino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of ethane;[2-[2-(4-hydroxyphenyl)ethylamino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone (CID 142540412) is ethane;[2-[2-(4-hydroxyphenyl)ethylamino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for ethane;[2-[2-(4-hydroxyphenyl)ethylamino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for ethane;[2-[2-(4-hydroxyphenyl)ethylamino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone is CC.O=C(c1nc(NCCc2ccc(O)cc2)nc2ccsc12)N1CCCC1.
What is the InChIKey of ethane;[2-[2-(4-hydroxyphenyl)ethylamino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is PESSNXCZFLZIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S.C2H6/c24-14-5-3-13(4-6-14)7-9-20-19-21-15-8-12-26-17(15)16(22-19)18(25)23-10-1-2-11-23;1-2/h3-6,8,12,24H,1-2,7,9-11H2,(H,20,21,22);1-2H3.
What are the key properties of ethane;[2-[2-(4-hydroxyphenyl)ethylamino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
ethane;[2-[2-(4-hydroxyphenyl)ethylamino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 398.53 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[2-[2-(4-hydroxyphenyl)ethylamino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 142540412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).