2-(4-chloro-2-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine

C13H9ClFN3S — CID 63616667

IUPAC2-(4-chloro-2-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(N)nc(-c3ccc(Cl)cc3F)nc2s1
InChIInChI=1S/C13H9ClFN3S/c1-6-4-9-11(16)17-12(18-13(9)19-6)8-3-2-7(14)5-10(8)15/h2-5H,1H3,(H2,16,17,18)
InChIKeyRYPHHCJCZKQCET-UHFFFAOYSA-N
MW293.75 g/mol
LogP4.04
Rot. Bonds1

About 2-(4-chloro-2-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine

2-(4-chloro-2-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 63616667) has the molecular formula C13H9ClFN3S and a molecular weight of 293.75 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID63616667
Molecular FormulaC13H9ClFN3S
Molecular Weight293.75 g/mol
Exact Mass293.02
IUPAC Name2-(4-chloro-2-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(N)nc(-c3ccc(Cl)cc3F)nc2s1
InChIInChI=1S/C13H9ClFN3S/c1-6-4-9-11(16)17-12(18-13(9)19-6)8-3-2-7(14)5-10(8)15/h2-5H,1H3,(H2,16,17,18)
InChIKeyRYPHHCJCZKQCET-UHFFFAOYSA-N
XLogP4.04
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine (CID 63616667) is 2-(4-chloro-2-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine is Cc1cc2c(N)nc(-c3ccc(Cl)cc3F)nc2s1.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is RYPHHCJCZKQCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3S/c1-6-4-9-11(16)17-12(18-13(9)19-6)8-3-2-7(14)5-10(8)15/h2-5H,1H3,(H2,16,17,18).
What are the key properties of 2-(4-chloro-2-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
2-(4-chloro-2-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 293.75 g/mol, XLogP of 4.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 63616667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).