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

C18H21N3O2S — CID 28848888

IUPAC2-[2-hydroxyethyl-[2-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethanol
SMILESCc1ccc(-c2csc3nc(C)nc(N(CCO)CCO)c23)cc1
InChIInChI=1S/C18H21N3O2S/c1-12-3-5-14(6-4-12)15-11-24-18-16(15)17(19-13(2)20-18)21(7-9-22)8-10-23/h3-6,11,22-23H,7-10H2,1-2H3
InChIKeyLGSRAEXNXKRLDI-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.77
Rot. Bonds6

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

2-[2-hydroxyethyl-[2-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethanol (PubChem CID 28848888) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 2-[2-hydroxyethyl-[2-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[2-hydroxyethyl-[2-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethanol
PubChem CID28848888
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name2-[2-hydroxyethyl-[2-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethanol
SMILESCc1ccc(-c2csc3nc(C)nc(N(CCO)CCO)c23)cc1
InChIInChI=1S/C18H21N3O2S/c1-12-3-5-14(6-4-12)15-11-24-18-16(15)17(19-13(2)20-18)21(7-9-22)8-10-23/h3-6,11,22-23H,7-10H2,1-2H3
InChIKeyLGSRAEXNXKRLDI-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

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Related Compounds

2-[2-hydroxyethyl-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 28848884
N-ethyl-2-[ethyl-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 9337907
2-[[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol
CID 28848805
2-[2-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylethanethioamide
CID 39159407
2-[benzyl-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 28848532
2-ethyl-3-(2-hydroxyethyl)-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-one
CID 949424
2-[N-(2-hydroxyethyl)-4-(2-methyl-1,3-thiazol-4-yl)anilino]ethanol
CID 125472013
6-methyl-4-(4-methylphenyl)-3-phenylthieno[2,3-b]pyridine
CID 141284004
N'-[5-(4-ethylphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]ethane-1,2-diamine
CID 28852901
2-methyl-5-(4-methylphenyl)-N-piperidin-4-ylthieno[2,3-d]pyrimidin-4-amine
CID 28851890
N,N-dimethyl-2-[methyl-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]acetamide
CID 9109926
2-[4-[5-(4-ethylphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 28848470

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl-[2-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[2-hydroxyethyl-[2-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethanol (CID 28848888) is 2-[2-hydroxyethyl-[2-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[2-hydroxyethyl-[2-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[2-hydroxyethyl-[2-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethanol is Cc1ccc(-c2csc3nc(C)nc(N(CCO)CCO)c23)cc1.
What is the InChIKey of 2-[2-hydroxyethyl-[2-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethanol?
The InChIKey is LGSRAEXNXKRLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-12-3-5-14(6-4-12)15-11-24-18-16(15)17(19-13(2)20-18)21(7-9-22)8-10-23/h3-6,11,22-23H,7-10H2,1-2H3.
What are the key properties of 2-[2-hydroxyethyl-[2-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethanol?
2-[2-hydroxyethyl-[2-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]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-[2-hydroxyethyl-[2-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 28848888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).