6-butylsulfinyl-2-(1,3-oxazol-4-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine

C19H18N4O2S2 — CID 118059005

IUPAC6-butylsulfinyl-2-(1,3-oxazol-4-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine
SMILESCCCCS(=O)c1sc2nc(-c3cocn3)nc(-c3ccccc3)c2c1N
InChIInChI=1S/C19H18N4O2S2/c1-2-3-9-27(24)19-15(20)14-16(12-7-5-4-6-8-12)22-17(23-18(14)26-19)13-10-25-11-21-13/h4-8,10-11H,2-3,9,20H2,1H3
InChIKeyJQMZECXSYGHSBI-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.50
Rot. Bonds6

About 6-butylsulfinyl-2-(1,3-oxazol-4-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine

6-butylsulfinyl-2-(1,3-oxazol-4-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine (PubChem CID 118059005) has the molecular formula C19H18N4O2S2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 6-butylsulfinyl-2-(1,3-oxazol-4-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine.

Molecular Properties

Compound Name6-butylsulfinyl-2-(1,3-oxazol-4-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine
PubChem CID118059005
Molecular FormulaC19H18N4O2S2
Molecular Weight398.51 g/mol
Exact Mass398.09
IUPAC Name6-butylsulfinyl-2-(1,3-oxazol-4-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine
SMILESCCCCS(=O)c1sc2nc(-c3cocn3)nc(-c3ccccc3)c2c1N
InChIInChI=1S/C19H18N4O2S2/c1-2-3-9-27(24)19-15(20)14-16(12-7-5-4-6-8-12)22-17(23-18(14)26-19)13-10-25-11-21-13/h4-8,10-11H,2-3,9,20H2,1H3
InChIKeyJQMZECXSYGHSBI-UHFFFAOYSA-N
XLogP4.50
TPSA94.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-butylsulfinyl-2-(1,3-oxazol-4-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine?
The IUPAC name of 6-butylsulfinyl-2-(1,3-oxazol-4-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine (CID 118059005) is 6-butylsulfinyl-2-(1,3-oxazol-4-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine.
What is the SMILES notation for 6-butylsulfinyl-2-(1,3-oxazol-4-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine?
The canonical SMILES for 6-butylsulfinyl-2-(1,3-oxazol-4-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine is CCCCS(=O)c1sc2nc(-c3cocn3)nc(-c3ccccc3)c2c1N.
What is the InChIKey of 6-butylsulfinyl-2-(1,3-oxazol-4-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine?
The InChIKey is JQMZECXSYGHSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S2/c1-2-3-9-27(24)19-15(20)14-16(12-7-5-4-6-8-12)22-17(23-18(14)26-19)13-10-25-11-21-13/h4-8,10-11H,2-3,9,20H2,1H3.
What are the key properties of 6-butylsulfinyl-2-(1,3-oxazol-4-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine?
6-butylsulfinyl-2-(1,3-oxazol-4-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine has a molecular weight of 398.51 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butylsulfinyl-2-(1,3-oxazol-4-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine is sourced from PubChem (CID 118059005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).