N-[(1S)-1-(4-bromophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine

C14H12BrN3S — CID 9196052

IUPACN-[(1S)-1-(4-bromophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESC[C@H](Nc1ncnc2sccc12)c1ccc(Br)cc1
InChIInChI=1S/C14H12BrN3S/c1-9(10-2-4-11(15)5-3-10)18-13-12-6-7-19-14(12)17-8-16-13/h2-9H,1H3,(H,16,17,18)/t9-/m0/s1
InChIKeyYWQYUZWTRTXQLM-VIFPVBQESA-N
MW334.24 g/mol
LogP4.63
Rot. Bonds3

About N-[(1S)-1-(4-bromophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine

N-[(1S)-1-(4-bromophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 9196052) has the molecular formula C14H12BrN3S and a molecular weight of 334.24 g/mol. Its IUPAC name is N-[(1S)-1-(4-bromophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1S)-1-(4-bromophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID9196052
Molecular FormulaC14H12BrN3S
Molecular Weight334.24 g/mol
Exact Mass332.99
IUPAC NameN-[(1S)-1-(4-bromophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESC[C@H](Nc1ncnc2sccc12)c1ccc(Br)cc1
InChIInChI=1S/C14H12BrN3S/c1-9(10-2-4-11(15)5-3-10)18-13-12-6-7-19-14(12)17-8-16-13/h2-9H,1H3,(H,16,17,18)/t9-/m0/s1
InChIKeyYWQYUZWTRTXQLM-VIFPVBQESA-N
XLogP4.63
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-bromophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(1S)-1-(4-bromophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine (CID 9196052) is N-[(1S)-1-(4-bromophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(1S)-1-(4-bromophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(1S)-1-(4-bromophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine is C[C@H](Nc1ncnc2sccc12)c1ccc(Br)cc1.
What is the InChIKey of N-[(1S)-1-(4-bromophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is YWQYUZWTRTXQLM-VIFPVBQESA-N. The full InChI is InChI=1S/C14H12BrN3S/c1-9(10-2-4-11(15)5-3-10)18-13-12-6-7-19-14(12)17-8-16-13/h2-9H,1H3,(H,16,17,18)/t9-/m0/s1.
What are the key properties of N-[(1S)-1-(4-bromophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
N-[(1S)-1-(4-bromophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 334.24 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-bromophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 9196052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).