4-[5,6-dimethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine

C19H21N3OS2 — CID 2548018

IUPAC4-[5,6-dimethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine
SMILESCc1sc2nc(CSc3ccccc3)nc(N3CCOCC3)c2c1C
InChIInChI=1S/C19H21N3OS2/c1-13-14(2)25-19-17(13)18(22-8-10-23-11-9-22)20-16(21-19)12-24-15-6-4-3-5-7-15/h3-7H,8-12H2,1-2H3
InChIKeyACTWFMPOQDAIBV-UHFFFAOYSA-N
MW371.53 g/mol
LogP4.44
Rot. Bonds4

About 4-[5,6-dimethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine

4-[5,6-dimethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine (PubChem CID 2548018) has the molecular formula C19H21N3OS2 and a molecular weight of 371.53 g/mol. Its IUPAC name is 4-[5,6-dimethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[5,6-dimethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine
PubChem CID2548018
Molecular FormulaC19H21N3OS2
Molecular Weight371.53 g/mol
Exact Mass371.11
IUPAC Name4-[5,6-dimethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine
SMILESCc1sc2nc(CSc3ccccc3)nc(N3CCOCC3)c2c1C
InChIInChI=1S/C19H21N3OS2/c1-13-14(2)25-19-17(13)18(22-8-10-23-11-9-22)20-16(21-19)12-24-15-6-4-3-5-7-15/h3-7H,8-12H2,1-2H3
InChIKeyACTWFMPOQDAIBV-UHFFFAOYSA-N
XLogP4.44
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5,6-dimethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[5,6-dimethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine (CID 2548018) is 4-[5,6-dimethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[5,6-dimethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[5,6-dimethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine is Cc1sc2nc(CSc3ccccc3)nc(N3CCOCC3)c2c1C.
What is the InChIKey of 4-[5,6-dimethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine?
The InChIKey is ACTWFMPOQDAIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS2/c1-13-14(2)25-19-17(13)18(22-8-10-23-11-9-22)20-16(21-19)12-24-15-6-4-3-5-7-15/h3-7H,8-12H2,1-2H3.
What are the key properties of 4-[5,6-dimethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine?
4-[5,6-dimethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine has a molecular weight of 371.53 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5,6-dimethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 2548018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).