5-chloro-N-[(1R)-1-[4-(trifluoromethylsulfanyl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine

C15H11ClF3N3S2 — CID 50914455

IUPAC5-chloro-N-[(1R)-1-[4-(trifluoromethylsulfanyl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESC[C@@H](Nc1ncnc2scc(Cl)c12)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C15H11ClF3N3S2/c1-8(9-2-4-10(5-3-9)24-15(17,18)19)22-13-12-11(16)6-23-14(12)21-7-20-13/h2-8H,1H3,(H,20,21,22)/t8-/m1/s1
InChIKeyDTJAKSYCYFGVHG-MRVPVSSYSA-N
MW389.86 g/mol
LogP6.13
Rot. Bonds4

About 5-chloro-N-[(1R)-1-[4-(trifluoromethylsulfanyl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine

5-chloro-N-[(1R)-1-[4-(trifluoromethylsulfanyl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 50914455) has the molecular formula C15H11ClF3N3S2 and a molecular weight of 389.86 g/mol. Its IUPAC name is 5-chloro-N-[(1R)-1-[4-(trifluoromethylsulfanyl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-[(1R)-1-[4-(trifluoromethylsulfanyl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID50914455
Molecular FormulaC15H11ClF3N3S2
Molecular Weight389.86 g/mol
Exact Mass389.00
IUPAC Name5-chloro-N-[(1R)-1-[4-(trifluoromethylsulfanyl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESC[C@@H](Nc1ncnc2scc(Cl)c12)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C15H11ClF3N3S2/c1-8(9-2-4-10(5-3-9)24-15(17,18)19)22-13-12-11(16)6-23-14(12)21-7-20-13/h2-8H,1H3,(H,20,21,22)/t8-/m1/s1
InChIKeyDTJAKSYCYFGVHG-MRVPVSSYSA-N
XLogP6.13
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.86
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[1-[4-(trifluoromethylsulfanyl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 50914454
5-chloro-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 50914309
5-chloro-N-[1-(6-ethoxy-3-pyridinyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 58629097
5-chloro-4-[2-[4-(1,1,2,2,2-pentafluoroethylsulfanyl)phenyl]propyl]thieno[2,3-d]pyrimidine
CID 162243718
5-chloro-N-[1-(2-chloro-3-pyridinyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 58629016
5-fluoro-N-[1-(6-methoxy-3-pyridinyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 58629082
(5-chlorothieno[2,3-d]pyrimidin-4-yl)hydrazine
CID 15746070
N-[1-(4-chlorophenyl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 60631569
5-chloro-N-[1-[(6-chloro-2-pyridinyl)oxy]propan-2-yl]thieno[2,3-d]pyrimidin-4-amine
CID 58629056
5-chloro-N-[1-[2-(methoxymethyl)cyclopropyl]ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 58629036
5-chloro-N-[(1R)-1-phenylethyl]quinazolin-4-amine
CID 87057014
5-chloro-N-[1-[4-(difluoromethylsulfanyl)phenyl]ethyl]-6-methylpyrimidin-4-amine
CID 54509093

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1R)-1-[4-(trifluoromethylsulfanyl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-chloro-N-[(1R)-1-[4-(trifluoromethylsulfanyl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine (CID 50914455) is 5-chloro-N-[(1R)-1-[4-(trifluoromethylsulfanyl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-[(1R)-1-[4-(trifluoromethylsulfanyl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-[(1R)-1-[4-(trifluoromethylsulfanyl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine is C[C@@H](Nc1ncnc2scc(Cl)c12)c1ccc(SC(F)(F)F)cc1.
What is the InChIKey of 5-chloro-N-[(1R)-1-[4-(trifluoromethylsulfanyl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is DTJAKSYCYFGVHG-MRVPVSSYSA-N. The full InChI is InChI=1S/C15H11ClF3N3S2/c1-8(9-2-4-10(5-3-9)24-15(17,18)19)22-13-12-11(16)6-23-14(12)21-7-20-13/h2-8H,1H3,(H,20,21,22)/t8-/m1/s1.
What are the key properties of 5-chloro-N-[(1R)-1-[4-(trifluoromethylsulfanyl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine?
5-chloro-N-[(1R)-1-[4-(trifluoromethylsulfanyl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 389.86 g/mol, XLogP of 6.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1R)-1-[4-(trifluoromethylsulfanyl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 50914455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).