6-[(S)-butylsulfinyl]-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine

C21H20N4OS2 — CID 142485744

IUPAC6-[(S)-butylsulfinyl]-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine
SMILESCCCC[S@](=O)c1sc2nc(-c3cccnc3)nc(-c3ccccc3)c2c1N
InChIInChI=1S/C21H20N4OS2/c1-2-3-12-28(26)21-17(22)16-18(14-8-5-4-6-9-14)24-19(25-20(16)27-21)15-10-7-11-23-13-15/h4-11,13H,2-3,12,22H2,1H3/t28-/m0/s1
InChIKeyJWGYQBOVQWBXET-NDEPHWFRSA-N
MW408.55 g/mol
LogP4.91
Rot. Bonds6

About 6-[(S)-butylsulfinyl]-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine

6-[(S)-butylsulfinyl]-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine (PubChem CID 142485744) has the molecular formula C21H20N4OS2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 6-[(S)-butylsulfinyl]-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine.

Molecular Properties

Compound Name6-[(S)-butylsulfinyl]-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine
PubChem CID142485744
Molecular FormulaC21H20N4OS2
Molecular Weight408.55 g/mol
Exact Mass408.11
IUPAC Name6-[(S)-butylsulfinyl]-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine
SMILESCCCC[S@](=O)c1sc2nc(-c3cccnc3)nc(-c3ccccc3)c2c1N
InChIInChI=1S/C21H20N4OS2/c1-2-3-12-28(26)21-17(22)16-18(14-8-5-4-6-9-14)24-19(25-20(16)27-21)15-10-7-11-23-13-15/h4-11,13H,2-3,12,22H2,1H3/t28-/m0/s1
InChIKeyJWGYQBOVQWBXET-NDEPHWFRSA-N
XLogP4.91
TPSA81.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(S)-butylsulfinyl]-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine?
The IUPAC name of 6-[(S)-butylsulfinyl]-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine (CID 142485744) is 6-[(S)-butylsulfinyl]-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine.
What is the SMILES notation for 6-[(S)-butylsulfinyl]-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine?
The canonical SMILES for 6-[(S)-butylsulfinyl]-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine is CCCC[S@](=O)c1sc2nc(-c3cccnc3)nc(-c3ccccc3)c2c1N.
What is the InChIKey of 6-[(S)-butylsulfinyl]-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine?
The InChIKey is JWGYQBOVQWBXET-NDEPHWFRSA-N. The full InChI is InChI=1S/C21H20N4OS2/c1-2-3-12-28(26)21-17(22)16-18(14-8-5-4-6-9-14)24-19(25-20(16)27-21)15-10-7-11-23-13-15/h4-11,13H,2-3,12,22H2,1H3/t28-/m0/s1.
What are the key properties of 6-[(S)-butylsulfinyl]-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine?
6-[(S)-butylsulfinyl]-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine has a molecular weight of 408.55 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(S)-butylsulfinyl]-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine is sourced from PubChem (CID 142485744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).