2-chloro-N-(3,4-difluorophenyl)thieno[2,3-d]pyrimidin-4-amine

C12H6ClF2N3S — CID 103320380

IUPAC2-chloro-N-(3,4-difluorophenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESFc1ccc(Nc2nc(Cl)nc3sccc23)cc1F
InChIInChI=1S/C12H6ClF2N3S/c13-12-17-10(7-3-4-19-11(7)18-12)16-6-1-2-8(14)9(15)5-6/h1-5H,(H,16,17,18)
InChIKeyZKFZBSKUBLEQFG-UHFFFAOYSA-N
MW297.72 g/mol
LogP4.37
Rot. Bonds2

About 2-chloro-N-(3,4-difluorophenyl)thieno[2,3-d]pyrimidin-4-amine

2-chloro-N-(3,4-difluorophenyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 103320380) has the molecular formula C12H6ClF2N3S and a molecular weight of 297.72 g/mol. Its IUPAC name is 2-chloro-N-(3,4-difluorophenyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(3,4-difluorophenyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID103320380
Molecular FormulaC12H6ClF2N3S
Molecular Weight297.72 g/mol
Exact Mass296.99
IUPAC Name2-chloro-N-(3,4-difluorophenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESFc1ccc(Nc2nc(Cl)nc3sccc23)cc1F
InChIInChI=1S/C12H6ClF2N3S/c13-12-17-10(7-3-4-19-11(7)18-12)16-6-1-2-8(14)9(15)5-6/h1-5H,(H,16,17,18)
InChIKeyZKFZBSKUBLEQFG-UHFFFAOYSA-N
XLogP4.37
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.72
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,4-difluorophenyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(3,4-difluorophenyl)thieno[2,3-d]pyrimidin-4-amine (CID 103320380) is 2-chloro-N-(3,4-difluorophenyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(3,4-difluorophenyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(3,4-difluorophenyl)thieno[2,3-d]pyrimidin-4-amine is Fc1ccc(Nc2nc(Cl)nc3sccc23)cc1F.
What is the InChIKey of 2-chloro-N-(3,4-difluorophenyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is ZKFZBSKUBLEQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF2N3S/c13-12-17-10(7-3-4-19-11(7)18-12)16-6-1-2-8(14)9(15)5-6/h1-5H,(H,16,17,18).
What are the key properties of 2-chloro-N-(3,4-difluorophenyl)thieno[2,3-d]pyrimidin-4-amine?
2-chloro-N-(3,4-difluorophenyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 297.72 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,4-difluorophenyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103320380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).