6-bromo-N-[(1S)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine

C14H12BrN3S — CID 95171151

IUPAC6-bromo-N-[(1S)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESC[C@H](Nc1ncnc2sc(Br)cc12)c1ccccc1
InChIInChI=1S/C14H12BrN3S/c1-9(10-5-3-2-4-6-10)18-13-11-7-12(15)19-14(11)17-8-16-13/h2-9H,1H3,(H,16,17,18)/t9-/m0/s1
InChIKeyVRNQAFKWBFDABH-VIFPVBQESA-N
MW334.24 g/mol
LogP4.63
Rot. Bonds3

About 6-bromo-N-[(1S)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine

6-bromo-N-[(1S)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 95171151) has the molecular formula C14H12BrN3S and a molecular weight of 334.24 g/mol. Its IUPAC name is 6-bromo-N-[(1S)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-bromo-N-[(1S)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID95171151
Molecular FormulaC14H12BrN3S
Molecular Weight334.24 g/mol
Exact Mass332.99
IUPAC Name6-bromo-N-[(1S)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESC[C@H](Nc1ncnc2sc(Br)cc12)c1ccccc1
InChIInChI=1S/C14H12BrN3S/c1-9(10-5-3-2-4-6-10)18-13-11-7-12(15)19-14(11)17-8-16-13/h2-9H,1H3,(H,16,17,18)/t9-/m0/s1
InChIKeyVRNQAFKWBFDABH-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 6-bromo-N-[(1S)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-bromo-N-[(1S)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine (CID 95171151) is 6-bromo-N-[(1S)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-bromo-N-[(1S)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-bromo-N-[(1S)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine is C[C@H](Nc1ncnc2sc(Br)cc12)c1ccccc1.
What is the InChIKey of 6-bromo-N-[(1S)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is VRNQAFKWBFDABH-VIFPVBQESA-N. The full InChI is InChI=1S/C14H12BrN3S/c1-9(10-5-3-2-4-6-10)18-13-11-7-12(15)19-14(11)17-8-16-13/h2-9H,1H3,(H,16,17,18)/t9-/m0/s1.
What are the key properties of 6-bromo-N-[(1S)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine?
6-bromo-N-[(1S)-1-phenylethyl]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 6-bromo-N-[(1S)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 95171151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).