2-[(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol

C14H12ClN3OS — CID 93214379

IUPAC2-[(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
SMILESOCCNc1nc(Cl)nc2scc(-c3ccccc3)c12
InChIInChI=1S/C14H12ClN3OS/c15-14-17-12(16-6-7-19)11-10(8-20-13(11)18-14)9-4-2-1-3-5-9/h1-5,8,19H,6-7H2,(H,16,17,18)
InChIKeyOTWXOIKRKNBMBZ-UHFFFAOYSA-N
MW305.79 g/mol
LogP3.42
Rot. Bonds4

About 2-[(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol

2-[(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol (PubChem CID 93214379) has the molecular formula C14H12ClN3OS and a molecular weight of 305.79 g/mol. Its IUPAC name is 2-[(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
PubChem CID93214379
Molecular FormulaC14H12ClN3OS
Molecular Weight305.79 g/mol
Exact Mass305.04
IUPAC Name2-[(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
SMILESOCCNc1nc(Cl)nc2scc(-c3ccccc3)c12
InChIInChI=1S/C14H12ClN3OS/c15-14-17-12(16-6-7-19)11-10(8-20-13(11)18-14)9-4-2-1-3-5-9/h1-5,8,19H,6-7H2,(H,16,17,18)
InChIKeyOTWXOIKRKNBMBZ-UHFFFAOYSA-N
XLogP3.42
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
The IUPAC name of 2-[(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol (CID 93214379) is 2-[(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
The canonical SMILES for 2-[(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol is OCCNc1nc(Cl)nc2scc(-c3ccccc3)c12.
What is the InChIKey of 2-[(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
The InChIKey is OTWXOIKRKNBMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3OS/c15-14-17-12(16-6-7-19)11-10(8-20-13(11)18-14)9-4-2-1-3-5-9/h1-5,8,19H,6-7H2,(H,16,17,18).
What are the key properties of 2-[(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
2-[(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol has a molecular weight of 305.79 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol is sourced from PubChem (CID 93214379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).