2-[[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol

C18H21N3O2S — CID 28848805

IUPAC2-[[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol
SMILESCc1ccc(-c2csc3ncnc(N(CCO)CCO)c23)cc1C
InChIInChI=1S/C18H21N3O2S/c1-12-3-4-14(9-13(12)2)15-10-24-18-16(15)17(19-11-20-18)21(5-7-22)6-8-23/h3-4,9-11,22-23H,5-8H2,1-2H3
InChIKeyOZRVFGKGLBSNAX-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.77
Rot. Bonds6

About 2-[[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol

2-[[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol (PubChem CID 28848805) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 2-[[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol
PubChem CID28848805
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name2-[[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol
SMILESCc1ccc(-c2csc3ncnc(N(CCO)CCO)c23)cc1C
InChIInChI=1S/C18H21N3O2S/c1-12-3-4-14(9-13(12)2)15-10-24-18-16(15)17(19-11-20-18)21(5-7-22)6-8-23/h3-4,9-11,22-23H,5-8H2,1-2H3
InChIKeyOZRVFGKGLBSNAX-UHFFFAOYSA-N
XLogP2.77
TPSA69.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol with MolForge

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Related Compounds

2-[[5-(3,4-dimethylphenyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]-ethylamino]ethanol
CID 28848658
N,N-bis(2-methoxyethyl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 110497877
2-[2-hydroxyethyl-[2-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethanol
CID 28848888
4-[[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-methylphenol
CID 21010234
5-(3,4-dimethylphenyl)-N-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride
CID 44635988
N-methyl-5-(4-methylphenyl)-N-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 67381989
5-(3,4-dimethylphenyl)-N-methyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 47054090
N,N-dimethyl-2-[methyl-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]acetamide
CID 9109926
[(3R)-1-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 94381226
2-[2-hydroxyethyl-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 28848884
5-(3,4-dimethylphenyl)-N-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride
CID 44635985
5-(3,4-dimethylphenyl)-N-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 7673774

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol (CID 28848805) is 2-[[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol is Cc1ccc(-c2csc3ncnc(N(CCO)CCO)c23)cc1C.
What is the InChIKey of 2-[[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol?
The InChIKey is OZRVFGKGLBSNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-12-3-4-14(9-13(12)2)15-10-24-18-16(15)17(19-11-20-18)21(5-7-22)6-8-23/h3-4,9-11,22-23H,5-8H2,1-2H3.
What are the key properties of 2-[[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol?
2-[[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol has a molecular weight of 343.45 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 28848805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).