2-[4-[[2-(3-chlorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]phenyl]ethanol

C20H18ClN3OS — CID 74220649

IUPAC2-[4-[[2-(3-chlorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]phenyl]ethanol
SMILESOCCc1ccc(Nc2nc(-c3cccc(Cl)c3)nc3c2SCC3)cc1
InChIInChI=1S/C20H18ClN3OS/c21-15-3-1-2-14(12-15)19-23-17-9-11-26-18(17)20(24-19)22-16-6-4-13(5-7-16)8-10-25/h1-7,12,25H,8-11H2,(H,22,23,24)
InChIKeyFYFIVVYQYPPOTE-UHFFFAOYSA-N
MW383.90 g/mol
LogP4.72
Rot. Bonds5

About 2-[4-[[2-(3-chlorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]phenyl]ethanol

2-[4-[[2-(3-chlorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]phenyl]ethanol (PubChem CID 74220649) has the molecular formula C20H18ClN3OS and a molecular weight of 383.90 g/mol. Its IUPAC name is 2-[4-[[2-(3-chlorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[[2-(3-chlorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]phenyl]ethanol
PubChem CID74220649
Molecular FormulaC20H18ClN3OS
Molecular Weight383.90 g/mol
Exact Mass383.09
IUPAC Name2-[4-[[2-(3-chlorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]phenyl]ethanol
SMILESOCCc1ccc(Nc2nc(-c3cccc(Cl)c3)nc3c2SCC3)cc1
InChIInChI=1S/C20H18ClN3OS/c21-15-3-1-2-14(12-15)19-23-17-9-11-26-18(17)20(24-19)22-16-6-4-13(5-7-16)8-10-25/h1-7,12,25H,8-11H2,(H,22,23,24)
InChIKeyFYFIVVYQYPPOTE-UHFFFAOYSA-N
XLogP4.72
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.90
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[[2-(3-chlorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]phenyl]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(3-chlorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]phenyl]ethanol?
The IUPAC name of 2-[4-[[2-(3-chlorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]phenyl]ethanol (CID 74220649) is 2-[4-[[2-(3-chlorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]phenyl]ethanol.
What is the SMILES notation for 2-[4-[[2-(3-chlorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]phenyl]ethanol?
The canonical SMILES for 2-[4-[[2-(3-chlorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]phenyl]ethanol is OCCc1ccc(Nc2nc(-c3cccc(Cl)c3)nc3c2SCC3)cc1.
What is the InChIKey of 2-[4-[[2-(3-chlorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]phenyl]ethanol?
The InChIKey is FYFIVVYQYPPOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3OS/c21-15-3-1-2-14(12-15)19-23-17-9-11-26-18(17)20(24-19)22-16-6-4-13(5-7-16)8-10-25/h1-7,12,25H,8-11H2,(H,22,23,24).
What are the key properties of 2-[4-[[2-(3-chlorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]phenyl]ethanol?
2-[4-[[2-(3-chlorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]phenyl]ethanol has a molecular weight of 383.90 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(3-chlorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]phenyl]ethanol is sourced from PubChem (CID 74220649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).