2-(2-fluorophenyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine

C15H14FN3S — CID 62189532

IUPAC2-(2-fluorophenyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(-c2ccccc2F)nc2sc(C)c(C)c12
InChIInChI=1S/C15H14FN3S/c1-8-9(2)20-15-12(8)14(17-3)18-13(19-15)10-6-4-5-7-11(10)16/h4-7H,1-3H3,(H,17,18,19)
InChIKeyJZRAIIBSCVGNSI-UHFFFAOYSA-N
MW287.36 g/mol
LogP4.16
Rot. Bonds2

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

2-(2-fluorophenyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 62189532) has the molecular formula C15H14FN3S and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID62189532
Molecular FormulaC15H14FN3S
Molecular Weight287.36 g/mol
Exact Mass287.09
IUPAC Name2-(2-fluorophenyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(-c2ccccc2F)nc2sc(C)c(C)c12
InChIInChI=1S/C15H14FN3S/c1-8-9(2)20-15-12(8)14(17-3)18-13(19-15)10-6-4-5-7-11(10)16/h4-7H,1-3H3,(H,17,18,19)
InChIKeyJZRAIIBSCVGNSI-UHFFFAOYSA-N
XLogP4.16
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(2-fluorophenyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine (CID 62189532) is 2-(2-fluorophenyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(2-fluorophenyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(2-fluorophenyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine is CNc1nc(-c2ccccc2F)nc2sc(C)c(C)c12.
What is the InChIKey of 2-(2-fluorophenyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is JZRAIIBSCVGNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3S/c1-8-9(2)20-15-12(8)14(17-3)18-13(19-15)10-6-4-5-7-11(10)16/h4-7H,1-3H3,(H,17,18,19).
What are the key properties of 2-(2-fluorophenyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
2-(2-fluorophenyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 287.36 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 62189532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).