trans-(1S,3S)-3-(thieno[3,2-d]pyrimidin-2-ylmethyl)cyclopentan-1-amine

C12H15N3S — CID 159313291

IUPACtrans-(1S,3S)-3-(thieno[3,2-d]pyrimidin-2-ylmethyl)cyclopentan-1-amine
SMILESN[C@H]1CC[C@H](Cc2ncc3sccc3n2)C1
InChIInChI=1S/C12H15N3S/c13-9-2-1-8(5-9)6-12-14-7-11-10(15-12)3-4-16-11/h3-4,7-9H,1-2,5-6,13H2/t8-,9-/m0/s1
InChIKeyLCUXQRFTBQZCSB-IUCAKERBSA-N
MW233.34 g/mol
LogP2.36
Rot. Bonds2

About trans-(1S,3S)-3-(thieno[3,2-d]pyrimidin-2-ylmethyl)cyclopentan-1-amine

trans-(1S,3S)-3-(thieno[3,2-d]pyrimidin-2-ylmethyl)cyclopentan-1-amine (PubChem CID 159313291) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is trans-(1S,3S)-3-(thieno[3,2-d]pyrimidin-2-ylmethyl)cyclopentan-1-amine.

Molecular Properties

Compound Nametrans-(1S,3S)-3-(thieno[3,2-d]pyrimidin-2-ylmethyl)cyclopentan-1-amine
PubChem CID159313291
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Nametrans-(1S,3S)-3-(thieno[3,2-d]pyrimidin-2-ylmethyl)cyclopentan-1-amine
SMILESN[C@H]1CC[C@H](Cc2ncc3sccc3n2)C1
InChIInChI=1S/C12H15N3S/c13-9-2-1-8(5-9)6-12-14-7-11-10(15-12)3-4-16-11/h3-4,7-9H,1-2,5-6,13H2/t8-,9-/m0/s1
InChIKeyLCUXQRFTBQZCSB-IUCAKERBSA-N
XLogP2.36
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-3-(thieno[3,2-d]pyrimidin-2-ylmethyl)cyclopentan-1-amine?
The IUPAC name of trans-(1S,3S)-3-(thieno[3,2-d]pyrimidin-2-ylmethyl)cyclopentan-1-amine (CID 159313291) is trans-(1S,3S)-3-(thieno[3,2-d]pyrimidin-2-ylmethyl)cyclopentan-1-amine.
What is the SMILES notation for trans-(1S,3S)-3-(thieno[3,2-d]pyrimidin-2-ylmethyl)cyclopentan-1-amine?
The canonical SMILES for trans-(1S,3S)-3-(thieno[3,2-d]pyrimidin-2-ylmethyl)cyclopentan-1-amine is N[C@H]1CC[C@H](Cc2ncc3sccc3n2)C1.
What is the InChIKey of trans-(1S,3S)-3-(thieno[3,2-d]pyrimidin-2-ylmethyl)cyclopentan-1-amine?
The InChIKey is LCUXQRFTBQZCSB-IUCAKERBSA-N. The full InChI is InChI=1S/C12H15N3S/c13-9-2-1-8(5-9)6-12-14-7-11-10(15-12)3-4-16-11/h3-4,7-9H,1-2,5-6,13H2/t8-,9-/m0/s1.
What are the key properties of trans-(1S,3S)-3-(thieno[3,2-d]pyrimidin-2-ylmethyl)cyclopentan-1-amine?
trans-(1S,3S)-3-(thieno[3,2-d]pyrimidin-2-ylmethyl)cyclopentan-1-amine has a molecular weight of 233.34 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-3-(thieno[3,2-d]pyrimidin-2-ylmethyl)cyclopentan-1-amine is sourced from PubChem (CID 159313291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).