3-[(2-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]phenol

C14H12ClN3OS — CID 93214059

IUPAC3-[(2-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]phenol
SMILESCc1sc2nc(Cl)nc(Nc3cccc(O)c3)c2c1C
InChIInChI=1S/C14H12ClN3OS/c1-7-8(2)20-13-11(7)12(17-14(15)18-13)16-9-4-3-5-10(19)6-9/h3-6,19H,1-2H3,(H,16,17,18)
InChIKeyLCHXYKZFKDCVEM-UHFFFAOYSA-N
MW305.79 g/mol
LogP4.41
Rot. Bonds2

About 3-[(2-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]phenol

3-[(2-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]phenol (PubChem CID 93214059) has the molecular formula C14H12ClN3OS and a molecular weight of 305.79 g/mol. Its IUPAC name is 3-[(2-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]phenol.

Molecular Properties

Compound Name3-[(2-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]phenol
PubChem CID93214059
Molecular FormulaC14H12ClN3OS
Molecular Weight305.79 g/mol
Exact Mass305.04
IUPAC Name3-[(2-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]phenol
SMILESCc1sc2nc(Cl)nc(Nc3cccc(O)c3)c2c1C
InChIInChI=1S/C14H12ClN3OS/c1-7-8(2)20-13-11(7)12(17-14(15)18-13)16-9-4-3-5-10(19)6-9/h3-6,19H,1-2H3,(H,16,17,18)
InChIKeyLCHXYKZFKDCVEM-UHFFFAOYSA-N
XLogP4.41
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]phenol?
The IUPAC name of 3-[(2-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]phenol (CID 93214059) is 3-[(2-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]phenol.
What is the SMILES notation for 3-[(2-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]phenol?
The canonical SMILES for 3-[(2-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]phenol is Cc1sc2nc(Cl)nc(Nc3cccc(O)c3)c2c1C.
What is the InChIKey of 3-[(2-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]phenol?
The InChIKey is LCHXYKZFKDCVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3OS/c1-7-8(2)20-13-11(7)12(17-14(15)18-13)16-9-4-3-5-10(19)6-9/h3-6,19H,1-2H3,(H,16,17,18).
What are the key properties of 3-[(2-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]phenol?
3-[(2-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]phenol has a molecular weight of 305.79 g/mol, XLogP of 4.41, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]phenol is sourced from PubChem (CID 93214059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).