1-(4-methylphenyl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol

C16H17N3OS — CID 133409400

IUPAC1-(4-methylphenyl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
SMILESCc1ccc(C(O)CNc2ncnc3sc(C)cc23)cc1
InChIInChI=1S/C16H17N3OS/c1-10-3-5-12(6-4-10)14(20)8-17-15-13-7-11(2)21-16(13)19-9-18-15/h3-7,9,14,20H,8H2,1-2H3,(H,17,18,19)
InChIKeyRTVNDVGRYCLJRU-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.45
Rot. Bonds4

About 1-(4-methylphenyl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol

1-(4-methylphenyl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol (PubChem CID 133409400) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
PubChem CID133409400
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name1-(4-methylphenyl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
SMILESCc1ccc(C(O)CNc2ncnc3sc(C)cc23)cc1
InChIInChI=1S/C16H17N3OS/c1-10-3-5-12(6-4-10)14(20)8-17-15-13-7-11(2)21-16(13)19-9-18-15/h3-7,9,14,20H,8H2,1-2H3,(H,17,18,19)
InChIKeyRTVNDVGRYCLJRU-UHFFFAOYSA-N
XLogP3.45
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N'-(6-methylthieno[2,3-d]pyrimidin-4-yl)propane-1,3-diamine
CID 65035565
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(4-nitrophenyl)ethanol
CID 51112819
1-(4-chlorophenyl)-2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 110430705
2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-propan-2-ylacetamide
CID 39084793
6-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]hexan-1-ol
CID 133434436
(1R)-1-(4-nitrophenyl)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 9280950
4-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenol
CID 28850872
6-methyl-N-(2-pyrrolidin-1-ylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 133409408
3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(pyridin-2-ylmethyl)propanamide
CID 75509069
2-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethoxy]ethanol
CID 28850882
6-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 133408697
6-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 133407869

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
The IUPAC name of 1-(4-methylphenyl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol (CID 133409400) is 1-(4-methylphenyl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol.
What is the SMILES notation for 1-(4-methylphenyl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
The canonical SMILES for 1-(4-methylphenyl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol is Cc1ccc(C(O)CNc2ncnc3sc(C)cc23)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
The InChIKey is RTVNDVGRYCLJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-10-3-5-12(6-4-10)14(20)8-17-15-13-7-11(2)21-16(13)19-9-18-15/h3-7,9,14,20H,8H2,1-2H3,(H,17,18,19).
What are the key properties of 1-(4-methylphenyl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
1-(4-methylphenyl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol has a molecular weight of 299.40 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol is sourced from PubChem (CID 133409400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).