2-[methyl-(5-phenyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol

C19H17N3OS2 — CID 8933490

IUPAC2-[methyl-(5-phenyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
SMILESCN(CCO)c1nc(-c2cccs2)nc2scc(-c3ccccc3)c12
InChIInChI=1S/C19H17N3OS2/c1-22(9-10-23)18-16-14(13-6-3-2-4-7-13)12-25-19(16)21-17(20-18)15-8-5-11-24-15/h2-8,11-12,23H,9-10H2,1H3
InChIKeyXTUROJWEOCNEJO-UHFFFAOYSA-N
MW367.50 g/mol
LogP4.52
Rot. Bonds5

About 2-[methyl-(5-phenyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol

2-[methyl-(5-phenyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol (PubChem CID 8933490) has the molecular formula C19H17N3OS2 and a molecular weight of 367.50 g/mol. Its IUPAC name is 2-[methyl-(5-phenyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[methyl-(5-phenyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
PubChem CID8933490
Molecular FormulaC19H17N3OS2
Molecular Weight367.50 g/mol
Exact Mass367.08
IUPAC Name2-[methyl-(5-phenyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
SMILESCN(CCO)c1nc(-c2cccs2)nc2scc(-c3ccccc3)c12
InChIInChI=1S/C19H17N3OS2/c1-22(9-10-23)18-16-14(13-6-3-2-4-7-13)12-25-19(16)21-17(20-18)15-8-5-11-24-15/h2-8,11-12,23H,9-10H2,1H3
InChIKeyXTUROJWEOCNEJO-UHFFFAOYSA-N
XLogP4.52
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 54.52
H-Bond Donors ≤ 51
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
methyl 2-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetate
CID 17402660
2-[methyl-(2-thiophen-2-ylquinazolin-4-yl)amino]acetic acid
CID 91964438
2-[(2,6-dimethyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)-methylamino]ethanol
CID 28847381
5-(4-methylphenyl)-2-thiophen-2-ylthieno[2,3-d]pyrimidine
CID 154458730
3-[methyl-[5-[3-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]amino]pyrrole-2,5-dione;dihydrochloride
CID 69402997
N-methyl-5-phenyl-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 37144286
2-[2-hydroxyethyl-[2-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethanol
CID 28848888
2-[5-(methoxymethyl)-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]-1,1-dimethylhydrazine
CID 143535514
2-[(dimethylamino)methyl]-N-methyl-5-phenyl-N-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 141105809
2-[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]ethanol
CID 133278690
2-(methoxymethyl)-N-methyl-5-phenyl-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 133278760

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(5-phenyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
The IUPAC name of 2-[methyl-(5-phenyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol (CID 8933490) is 2-[methyl-(5-phenyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[methyl-(5-phenyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
The canonical SMILES for 2-[methyl-(5-phenyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol is CN(CCO)c1nc(-c2cccs2)nc2scc(-c3ccccc3)c12.
What is the InChIKey of 2-[methyl-(5-phenyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
The InChIKey is XTUROJWEOCNEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3OS2/c1-22(9-10-23)18-16-14(13-6-3-2-4-7-13)12-25-19(16)21-17(20-18)15-8-5-11-24-15/h2-8,11-12,23H,9-10H2,1H3.
What are the key properties of 2-[methyl-(5-phenyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
2-[methyl-(5-phenyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol has a molecular weight of 367.50 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(5-phenyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol is sourced from PubChem (CID 8933490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).