2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol

C13H18F2N4OS — CID 107485493

IUPAC2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol
SMILESCc1sc2nc(CN(CCO)CC(F)F)nc(N)c2c1C
InChIInChI=1S/C13H18F2N4OS/c1-7-8(2)21-13-11(7)12(16)17-10(18-13)6-19(3-4-20)5-9(14)15/h9,20H,3-6H2,1-2H3,(H2,16,17,18)
InChIKeyKBBRLMOSYONSAA-UHFFFAOYSA-N
MW316.38 g/mol
LogP1.95
Rot. Bonds6

About 2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol

2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol (PubChem CID 107485493) has the molecular formula C13H18F2N4OS and a molecular weight of 316.38 g/mol. Its IUPAC name is 2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol
PubChem CID107485493
Molecular FormulaC13H18F2N4OS
Molecular Weight316.38 g/mol
Exact Mass316.12
IUPAC Name2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol
SMILESCc1sc2nc(CN(CCO)CC(F)F)nc(N)c2c1C
InChIInChI=1S/C13H18F2N4OS/c1-7-8(2)21-13-11(7)12(16)17-10(18-13)6-19(3-4-20)5-9(14)15/h9,20H,3-6H2,1-2H3,(H2,16,17,18)
InChIKeyKBBRLMOSYONSAA-UHFFFAOYSA-N
XLogP1.95
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol with MolForge

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Related Compounds

5,6-dimethyl-2-[[methyl(propan-2-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62182672
1-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-ethylamino]-2-methylpropan-2-ol
CID 79379457
2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]ethanol
CID 43502532
5,6-dimethyl-2-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 61026333
methyl 3-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]propanoate
CID 62013399
2-(chloromethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 9115252
2-[[cyclobutylmethyl(ethyl)amino]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 107401404
N-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine
CID 116652761
5,6-dimethyl-2-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 61025252
2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]-N-ethylacetamide
CID 62208923
2-[[azetidin-3-yl(propyl)amino]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 66215279
2-[(2-fluorophenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 61025722

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol (CID 107485493) is 2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol is Cc1sc2nc(CN(CCO)CC(F)F)nc(N)c2c1C.
What is the InChIKey of 2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol?
The InChIKey is KBBRLMOSYONSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N4OS/c1-7-8(2)21-13-11(7)12(16)17-10(18-13)6-19(3-4-20)5-9(14)15/h9,20H,3-6H2,1-2H3,(H2,16,17,18).
What are the key properties of 2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol?
2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol has a molecular weight of 316.38 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol is sourced from PubChem (CID 107485493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).