2-[2-[[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethoxy]ethanol

C19H23N3O2S — CID 2076539

IUPAC2-[2-[[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethoxy]ethanol
SMILESCC(C)c1ccc(-c2csc3ncnc(NCCOCCO)c23)cc1
InChIInChI=1S/C19H23N3O2S/c1-13(2)14-3-5-15(6-4-14)16-11-25-19-17(16)18(21-12-22-19)20-7-9-24-10-8-23/h3-6,11-13,23H,7-10H2,1-2H3,(H,20,21,22)
InChIKeyVYZKPYZEPGCKBC-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.90
Rot. Bonds8

About 2-[2-[[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethoxy]ethanol

2-[2-[[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethoxy]ethanol (PubChem CID 2076539) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is 2-[2-[[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethoxy]ethanol
PubChem CID2076539
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name2-[2-[[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethoxy]ethanol
SMILESCC(C)c1ccc(-c2csc3ncnc(NCCOCCO)c23)cc1
InChIInChI=1S/C19H23N3O2S/c1-13(2)14-3-5-15(6-4-14)16-11-25-19-17(16)18(21-12-22-19)20-7-9-24-10-8-23/h3-6,11-13,23H,7-10H2,1-2H3,(H,20,21,22)
InChIKeyVYZKPYZEPGCKBC-UHFFFAOYSA-N
XLogP3.90
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[[6-methyl-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethoxy]ethanol
CID 28852653
N',N'-diethyl-N-[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]ethane-1,2-diamine
CID 110496263
5-(4-propan-2-ylphenyl)-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 110496254
N-(2-methoxyethyl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 2116537
N-(3-imidazol-1-ylpropyl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 110496280
(2R)-1-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]propan-2-ol
CID 9310899
N,N-bis(2-methoxyethyl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 110497877
N-(2-propan-2-ylphenyl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 28695510
2-[2-[[6-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethoxy]ethanol
CID 28850591
N-(5-methyl-2-pyridinyl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 110499100
5-(4-propan-2-ylphenyl)-N-(2,4,6-trichlorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 110447011
N-(2-methylphenyl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21011105

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethoxy]ethanol (CID 2076539) is 2-[2-[[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethoxy]ethanol is CC(C)c1ccc(-c2csc3ncnc(NCCOCCO)c23)cc1.
What is the InChIKey of 2-[2-[[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethoxy]ethanol?
The InChIKey is VYZKPYZEPGCKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-13(2)14-3-5-15(6-4-14)16-11-25-19-17(16)18(21-12-22-19)20-7-9-24-10-8-23/h3-6,11-13,23H,7-10H2,1-2H3,(H,20,21,22).
What are the key properties of 2-[2-[[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethoxy]ethanol?
2-[2-[[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethoxy]ethanol has a molecular weight of 357.48 g/mol, XLogP of 3.90, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethoxy]ethanol is sourced from PubChem (CID 2076539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).