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

C17H19N3O2S — CID 28848884

IUPAC2-[2-hydroxyethyl-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
SMILESCc1nc(N(CCO)CCO)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C17H19N3O2S/c1-12-18-16(20(7-9-21)8-10-22)15-14(11-23-17(15)19-12)13-5-3-2-4-6-13/h2-6,11,21-22H,7-10H2,1H3
InChIKeySNDFOLVYWGUWIJ-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.46
Rot. Bonds6

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

2-[2-hydroxyethyl-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol (PubChem CID 28848884) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 2-[2-hydroxyethyl-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[2-hydroxyethyl-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
PubChem CID28848884
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name2-[2-hydroxyethyl-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
SMILESCc1nc(N(CCO)CCO)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C17H19N3O2S/c1-12-18-16(20(7-9-21)8-10-22)15-14(11-23-17(15)19-12)13-5-3-2-4-6-13/h2-6,11,21-22H,7-10H2,1H3
InChIKeySNDFOLVYWGUWIJ-UHFFFAOYSA-N
XLogP2.46
TPSA69.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-hydroxyethyl-[2-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethanol
CID 28848888
N-ethyl-2-[ethyl-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 9337907
2-[methyl-(5-phenyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 8933490
N-[(3R)-1,1-dioxothiolan-3-yl]-N,2-dimethyl-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 8560450
(1R)-2-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-1-phenylethanol
CID 9311855
2-[(2,6-dimethyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)-methylamino]ethanol
CID 28847381
2-[[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol
CID 28848805
2-methyl-5-phenyl-4-(4-propylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine
CID 7874202
2-[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]ethanol
CID 133278690
2-methyl-5-phenyl-4-pyridin-3-yloxythieno[2,3-d]pyrimidine
CID 40710056
2-[ethyl-(4-phenyl-1,3-thiazol-2-yl)amino]ethanol
CID 133370528
6-methyl-4-(4-methylphenyl)-3-phenylthieno[2,3-b]pyridine
CID 141284004

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
The IUPAC name of 2-[2-hydroxyethyl-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol (CID 28848884) is 2-[2-hydroxyethyl-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[2-hydroxyethyl-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
The canonical SMILES for 2-[2-hydroxyethyl-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol is Cc1nc(N(CCO)CCO)c2c(-c3ccccc3)csc2n1.
What is the InChIKey of 2-[2-hydroxyethyl-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
The InChIKey is SNDFOLVYWGUWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-12-18-16(20(7-9-21)8-10-22)15-14(11-23-17(15)19-12)13-5-3-2-4-6-13/h2-6,11,21-22H,7-10H2,1H3.
What are the key properties of 2-[2-hydroxyethyl-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
2-[2-hydroxyethyl-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol has a molecular weight of 329.43 g/mol, XLogP of 2.46, 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-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol is sourced from PubChem (CID 28848884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).