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

C13H9ClFN3S — CID 10402158

IUPAC4-chloro-N-(4-fluoro-2-methylphenyl)thieno[3,2-d]pyrimidin-2-amine
SMILESCc1cc(F)ccc1Nc1nc(Cl)c2sccc2n1
InChIInChI=1S/C13H9ClFN3S/c1-7-6-8(15)2-3-9(7)16-13-17-10-4-5-19-11(10)12(14)18-13/h2-6H,1H3,(H,16,17,18)
InChIKeyNBDXEJKBNLADKT-UHFFFAOYSA-N
MW293.75 g/mol
LogP4.54
Rot. Bonds2

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

4-chloro-N-(4-fluoro-2-methylphenyl)thieno[3,2-d]pyrimidin-2-amine (PubChem CID 10402158) has the molecular formula C13H9ClFN3S and a molecular weight of 293.75 g/mol. Its IUPAC name is 4-chloro-N-(4-fluoro-2-methylphenyl)thieno[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(4-fluoro-2-methylphenyl)thieno[3,2-d]pyrimidin-2-amine
PubChem CID10402158
Molecular FormulaC13H9ClFN3S
Molecular Weight293.75 g/mol
Exact Mass293.02
IUPAC Name4-chloro-N-(4-fluoro-2-methylphenyl)thieno[3,2-d]pyrimidin-2-amine
SMILESCc1cc(F)ccc1Nc1nc(Cl)c2sccc2n1
InChIInChI=1S/C13H9ClFN3S/c1-7-6-8(15)2-3-9(7)16-13-17-10-4-5-19-11(10)12(14)18-13/h2-6H,1H3,(H,16,17,18)
InChIKeyNBDXEJKBNLADKT-UHFFFAOYSA-N
XLogP4.54
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-fluoro-2-methylphenyl)thieno[3,2-d]pyrimidin-2-amine?
The IUPAC name of 4-chloro-N-(4-fluoro-2-methylphenyl)thieno[3,2-d]pyrimidin-2-amine (CID 10402158) is 4-chloro-N-(4-fluoro-2-methylphenyl)thieno[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-N-(4-fluoro-2-methylphenyl)thieno[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-N-(4-fluoro-2-methylphenyl)thieno[3,2-d]pyrimidin-2-amine is Cc1cc(F)ccc1Nc1nc(Cl)c2sccc2n1.
What is the InChIKey of 4-chloro-N-(4-fluoro-2-methylphenyl)thieno[3,2-d]pyrimidin-2-amine?
The InChIKey is NBDXEJKBNLADKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3S/c1-7-6-8(15)2-3-9(7)16-13-17-10-4-5-19-11(10)12(14)18-13/h2-6H,1H3,(H,16,17,18).
What are the key properties of 4-chloro-N-(4-fluoro-2-methylphenyl)thieno[3,2-d]pyrimidin-2-amine?
4-chloro-N-(4-fluoro-2-methylphenyl)thieno[3,2-d]pyrimidin-2-amine has a molecular weight of 293.75 g/mol, XLogP of 4.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-fluoro-2-methylphenyl)thieno[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 10402158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).