2-(2-chloro-4-fluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

C14H11ClFN3S — CID 62944582

IUPAC2-(2-chloro-4-fluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(-c3ccc(F)cc3Cl)nc(N)c2c1C
InChIInChI=1S/C14H11ClFN3S/c1-6-7(2)20-14-11(6)12(17)18-13(19-14)9-4-3-8(16)5-10(9)15/h3-5H,1-2H3,(H2,17,18,19)
InChIKeyGJQVIQMCQFVXLV-UHFFFAOYSA-N
MW307.78 g/mol
LogP4.35
Rot. Bonds1

About 2-(2-chloro-4-fluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

2-(2-chloro-4-fluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 62944582) has the molecular formula C14H11ClFN3S and a molecular weight of 307.78 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID62944582
Molecular FormulaC14H11ClFN3S
Molecular Weight307.78 g/mol
Exact Mass307.03
IUPAC Name2-(2-chloro-4-fluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(-c3ccc(F)cc3Cl)nc(N)c2c1C
InChIInChI=1S/C14H11ClFN3S/c1-6-7(2)20-14-11(6)12(17)18-13(19-14)9-4-3-8(16)5-10(9)15/h3-5H,1-2H3,(H2,17,18,19)
InChIKeyGJQVIQMCQFVXLV-UHFFFAOYSA-N
XLogP4.35
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (CID 62944582) is 2-(2-chloro-4-fluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is Cc1sc2nc(-c3ccc(F)cc3Cl)nc(N)c2c1C.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is GJQVIQMCQFVXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN3S/c1-6-7(2)20-14-11(6)12(17)18-13(19-14)9-4-3-8(16)5-10(9)15/h3-5H,1-2H3,(H2,17,18,19).
What are the key properties of 2-(2-chloro-4-fluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
2-(2-chloro-4-fluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 307.78 g/mol, XLogP of 4.35, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 62944582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).