2-[2-[[6-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethoxy]ethanol

C18H21N3O2S — CID 28850591

IUPAC2-[2-[[6-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethoxy]ethanol
SMILESCc1ccc(-c2c(C)sc3ncnc(NCCOCCO)c23)cc1
InChIInChI=1S/C18H21N3O2S/c1-12-3-5-14(6-4-12)15-13(2)24-18-16(15)17(20-11-21-18)19-7-9-23-10-8-22/h3-6,11,22H,7-10H2,1-2H3,(H,19,20,21)
InChIKeyPBHNBGYIVZKZIB-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.40
Rot. Bonds7

About 2-[2-[[6-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethoxy]ethanol

2-[2-[[6-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethoxy]ethanol (PubChem CID 28850591) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 2-[2-[[6-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[[6-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethoxy]ethanol
PubChem CID28850591
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name2-[2-[[6-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethoxy]ethanol
SMILESCc1ccc(-c2c(C)sc3ncnc(NCCOCCO)c23)cc1
InChIInChI=1S/C18H21N3O2S/c1-12-3-5-14(6-4-12)15-13(2)24-18-16(15)17(20-11-21-18)19-7-9-23-10-8-22/h3-6,11,22H,7-10H2,1-2H3,(H,19,20,21)
InChIKeyPBHNBGYIVZKZIB-UHFFFAOYSA-N
XLogP3.40
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.40
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
3-[[6-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol
CID 28852711
2-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethoxy]ethanol
CID 28850882
N'-[5-(3,4-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]ethane-1,2-diamine
CID 28850740
2-[2-[[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethoxy]ethanol
CID 2076539
N-(2,5-dimethylphenyl)-6-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21009656
3-[[5-(3,4-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid
CID 28842493
2-[[6-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenol
CID 21011484
4-N,4-N-dimethyl-1-N-[6-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]benzene-1,4-diamine
CID 21012140
2-[2-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]ethoxy]ethanol
CID 80825941
5-(4-bromophenyl)-N-(2,5-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21009655
3-[[5-(4-bromophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol
CID 84555575

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[6-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[[6-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethoxy]ethanol (CID 28850591) is 2-[2-[[6-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[[6-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[[6-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethoxy]ethanol is Cc1ccc(-c2c(C)sc3ncnc(NCCOCCO)c23)cc1.
What is the InChIKey of 2-[2-[[6-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethoxy]ethanol?
The InChIKey is PBHNBGYIVZKZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-12-3-5-14(6-4-12)15-13(2)24-18-16(15)17(20-11-21-18)19-7-9-23-10-8-22/h3-6,11,22H,7-10H2,1-2H3,(H,19,20,21).
What are the key properties of 2-[2-[[6-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethoxy]ethanol?
2-[2-[[6-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethoxy]ethanol has a molecular weight of 343.45 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[6-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethoxy]ethanol is sourced from PubChem (CID 28850591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).