(1R)-1-(2,6-difluorophenyl)-2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol

C16H15F2N3OS — CID 99776459

IUPAC(1R)-1-(2,6-difluorophenyl)-2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
SMILESCCc1nc(NC[C@H](O)c2c(F)cccc2F)c2ccsc2n1
InChIInChI=1S/C16H15F2N3OS/c1-2-13-20-15(9-6-7-23-16(9)21-13)19-8-12(22)14-10(17)4-3-5-11(14)18/h3-7,12,22H,2,8H2,1H3,(H,19,20,21)/t12-/m0/s1
InChIKeyHIJADZCJEKNQQO-LBPRGKRZSA-N
MW335.38 g/mol
LogP3.68
Rot. Bonds5

About (1R)-1-(2,6-difluorophenyl)-2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol

(1R)-1-(2,6-difluorophenyl)-2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol (PubChem CID 99776459) has the molecular formula C16H15F2N3OS and a molecular weight of 335.38 g/mol. Its IUPAC name is (1R)-1-(2,6-difluorophenyl)-2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name(1R)-1-(2,6-difluorophenyl)-2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
PubChem CID99776459
Molecular FormulaC16H15F2N3OS
Molecular Weight335.38 g/mol
Exact Mass335.09
IUPAC Name(1R)-1-(2,6-difluorophenyl)-2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
SMILESCCc1nc(NC[C@H](O)c2c(F)cccc2F)c2ccsc2n1
InChIInChI=1S/C16H15F2N3OS/c1-2-13-20-15(9-6-7-23-16(9)21-13)19-8-12(22)14-10(17)4-3-5-11(14)18/h3-7,12,22H,2,8H2,1H3,(H,19,20,21)/t12-/m0/s1
InChIKeyHIJADZCJEKNQQO-LBPRGKRZSA-N
XLogP3.68
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1R)-1-(2,6-difluorophenyl)-2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol with MolForge

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Related Compounds

1-(4-chloro-3-fluorophenyl)-2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 133430923
2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-thiophen-3-ylethanol
CID 133418146
4-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoic acid
CID 122058535
4-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-methoxybutan-2-ol
CID 133415292
2-ethyl-N-(2-pyrrol-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 133403949
3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-hydroxy-2-methylpropanoic acid
CID 122060901
2-ethyl-N-(2-methyl-2-methylsulfanylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 133403664
3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(furan-2-yl)butan-1-ol
CID 133404351
1-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-thiophen-3-ylpropan-2-ol
CID 133403079
2-ethyl-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 138046013
N-but-3-en-2-yl-2-ethylthieno[2,3-d]pyrimidin-4-amine
CID 133404236
2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-pyridin-2-ylacetamide
CID 133404654

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,6-difluorophenyl)-2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
The IUPAC name of (1R)-1-(2,6-difluorophenyl)-2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol (CID 99776459) is (1R)-1-(2,6-difluorophenyl)-2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol.
What is the SMILES notation for (1R)-1-(2,6-difluorophenyl)-2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
The canonical SMILES for (1R)-1-(2,6-difluorophenyl)-2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol is CCc1nc(NC[C@H](O)c2c(F)cccc2F)c2ccsc2n1.
What is the InChIKey of (1R)-1-(2,6-difluorophenyl)-2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
The InChIKey is HIJADZCJEKNQQO-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H15F2N3OS/c1-2-13-20-15(9-6-7-23-16(9)21-13)19-8-12(22)14-10(17)4-3-5-11(14)18/h3-7,12,22H,2,8H2,1H3,(H,19,20,21)/t12-/m0/s1.
What are the key properties of (1R)-1-(2,6-difluorophenyl)-2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
(1R)-1-(2,6-difluorophenyl)-2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol has a molecular weight of 335.38 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,6-difluorophenyl)-2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol is sourced from PubChem (CID 99776459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).