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

C13H9ClFN3S — CID 103320393

IUPAC2-chloro-N-(4-fluoro-2-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc(F)ccc1Nc1nc(Cl)nc2sccc12
InChIInChI=1S/C13H9ClFN3S/c1-7-6-8(15)2-3-10(7)16-11-9-4-5-19-12(9)18-13(14)17-11/h2-6H,1H3,(H,16,17,18)
InChIKeyQHWQDVRQVFKLTP-UHFFFAOYSA-N
MW293.75 g/mol
LogP4.54
Rot. Bonds2

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

2-chloro-N-(4-fluoro-2-methylphenyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 103320393) has the molecular formula C13H9ClFN3S and a molecular weight of 293.75 g/mol. Its IUPAC name is 2-chloro-N-(4-fluoro-2-methylphenyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(4-fluoro-2-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID103320393
Molecular FormulaC13H9ClFN3S
Molecular Weight293.75 g/mol
Exact Mass293.02
IUPAC Name2-chloro-N-(4-fluoro-2-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc(F)ccc1Nc1nc(Cl)nc2sccc12
InChIInChI=1S/C13H9ClFN3S/c1-7-6-8(15)2-3-10(7)16-11-9-4-5-19-12(9)18-13(14)17-11/h2-6H,1H3,(H,16,17,18)
InChIKeyQHWQDVRQVFKLTP-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 2-chloro-N-(4-fluoro-2-methylphenyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(4-fluoro-2-methylphenyl)thieno[2,3-d]pyrimidin-4-amine (CID 103320393) is 2-chloro-N-(4-fluoro-2-methylphenyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(4-fluoro-2-methylphenyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(4-fluoro-2-methylphenyl)thieno[2,3-d]pyrimidin-4-amine is Cc1cc(F)ccc1Nc1nc(Cl)nc2sccc12.
What is the InChIKey of 2-chloro-N-(4-fluoro-2-methylphenyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is QHWQDVRQVFKLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3S/c1-7-6-8(15)2-3-10(7)16-11-9-4-5-19-12(9)18-13(14)17-11/h2-6H,1H3,(H,16,17,18).
What are the key properties of 2-chloro-N-(4-fluoro-2-methylphenyl)thieno[2,3-d]pyrimidin-4-amine?
2-chloro-N-(4-fluoro-2-methylphenyl)thieno[2,3-d]pyrimidin-4-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 2-chloro-N-(4-fluoro-2-methylphenyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103320393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).