N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]-7-methylthieno[3,2-d]pyrimidin-4-amine

C17H16FN3O2S — CID 24765447

IUPACN-[4-fluoro-2-(oxolan-3-yloxy)phenyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
SMILESCc1csc2c(Nc3ccc(F)cc3OC3CCOC3)ncnc12
InChIInChI=1S/C17H16FN3O2S/c1-10-8-24-16-15(10)19-9-20-17(16)21-13-3-2-11(18)6-14(13)23-12-4-5-22-7-12/h2-3,6,8-9,12H,4-5,7H2,1H3,(H,19,20,21)
InChIKeyWBPGITJVPXWZFI-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.05
Rot. Bonds4

About N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]-7-methylthieno[3,2-d]pyrimidin-4-amine

N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]-7-methylthieno[3,2-d]pyrimidin-4-amine (PubChem CID 24765447) has the molecular formula C17H16FN3O2S and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]-7-methylthieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[4-fluoro-2-(oxolan-3-yloxy)phenyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
PubChem CID24765447
Molecular FormulaC17H16FN3O2S
Molecular Weight345.40 g/mol
Exact Mass345.09
IUPAC NameN-[4-fluoro-2-(oxolan-3-yloxy)phenyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
SMILESCc1csc2c(Nc3ccc(F)cc3OC3CCOC3)ncnc12
InChIInChI=1S/C17H16FN3O2S/c1-10-8-24-16-15(10)19-9-20-17(16)21-13-3-2-11(18)6-14(13)23-12-4-5-22-7-12/h2-3,6,8-9,12H,4-5,7H2,1H3,(H,19,20,21)
InChIKeyWBPGITJVPXWZFI-UHFFFAOYSA-N
XLogP4.05
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]-7-methylthieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]-7-methylthieno[3,2-d]pyrimidin-4-amine (CID 24765447) is N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]-7-methylthieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]-7-methylthieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]-7-methylthieno[3,2-d]pyrimidin-4-amine is Cc1csc2c(Nc3ccc(F)cc3OC3CCOC3)ncnc12.
What is the InChIKey of N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]-7-methylthieno[3,2-d]pyrimidin-4-amine?
The InChIKey is WBPGITJVPXWZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2S/c1-10-8-24-16-15(10)19-9-20-17(16)21-13-3-2-11(18)6-14(13)23-12-4-5-22-7-12/h2-3,6,8-9,12H,4-5,7H2,1H3,(H,19,20,21).
What are the key properties of N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]-7-methylthieno[3,2-d]pyrimidin-4-amine?
N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]-7-methylthieno[3,2-d]pyrimidin-4-amine has a molecular weight of 345.40 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]-7-methylthieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 24765447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).