1-phenyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)ethanol

C14H13N3OS — CID 3894843

IUPAC1-phenyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)ethanol
SMILESOC(CNc1ncnc2sccc12)c1ccccc1
InChIInChI=1S/C14H13N3OS/c18-12(10-4-2-1-3-5-10)8-15-13-11-6-7-19-14(11)17-9-16-13/h1-7,9,12,18H,8H2,(H,15,16,17)
InChIKeyCUCKNSQYIOJXFX-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.84
Rot. Bonds4

About 1-phenyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)ethanol

1-phenyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)ethanol (PubChem CID 3894843) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 1-phenyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)ethanol.

Molecular Properties

Compound Name1-phenyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)ethanol
PubChem CID3894843
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name1-phenyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)ethanol
SMILESOC(CNc1ncnc2sccc12)c1ccccc1
InChIInChI=1S/C14H13N3OS/c18-12(10-4-2-1-3-5-10)8-15-13-11-6-7-19-14(11)17-9-16-13/h1-7,9,12,18H,8H2,(H,15,16,17)
InChIKeyCUCKNSQYIOJXFX-UHFFFAOYSA-N
XLogP2.84
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)ethanol?
The IUPAC name of 1-phenyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)ethanol (CID 3894843) is 1-phenyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)ethanol.
What is the SMILES notation for 1-phenyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)ethanol?
The canonical SMILES for 1-phenyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)ethanol is OC(CNc1ncnc2sccc12)c1ccccc1.
What is the InChIKey of 1-phenyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)ethanol?
The InChIKey is CUCKNSQYIOJXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c18-12(10-4-2-1-3-5-10)8-15-13-11-6-7-19-14(11)17-9-16-13/h1-7,9,12,18H,8H2,(H,15,16,17).
What are the key properties of 1-phenyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)ethanol?
1-phenyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)ethanol has a molecular weight of 271.35 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)ethanol is sourced from PubChem (CID 3894843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).