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

C15H14FN3S — CID 46362735

IUPAC6-ethyl-N-(4-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(N(C)c3ccc(F)cc3)ncnc2s1
InChIInChI=1S/C15H14FN3S/c1-3-12-8-13-14(17-9-18-15(13)20-12)19(2)11-6-4-10(16)5-7-11/h4-9H,3H2,1-2H3
InChIKeyWZEXDBNDEAQCMH-UHFFFAOYSA-N
MW287.36 g/mol
LogP4.16
Rot. Bonds3

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

6-ethyl-N-(4-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 46362735) has the molecular formula C15H14FN3S and a molecular weight of 287.36 g/mol. Its IUPAC name is 6-ethyl-N-(4-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-N-(4-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID46362735
Molecular FormulaC15H14FN3S
Molecular Weight287.36 g/mol
Exact Mass287.09
IUPAC Name6-ethyl-N-(4-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(N(C)c3ccc(F)cc3)ncnc2s1
InChIInChI=1S/C15H14FN3S/c1-3-12-8-13-14(17-9-18-15(13)20-12)19(2)11-6-4-10(16)5-7-11/h4-9H,3H2,1-2H3
InChIKeyWZEXDBNDEAQCMH-UHFFFAOYSA-N
XLogP4.16
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-(4-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-N-(4-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine (CID 46362735) is 6-ethyl-N-(4-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-N-(4-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-N-(4-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine is CCc1cc2c(N(C)c3ccc(F)cc3)ncnc2s1.
What is the InChIKey of 6-ethyl-N-(4-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is WZEXDBNDEAQCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3S/c1-3-12-8-13-14(17-9-18-15(13)20-12)19(2)11-6-4-10(16)5-7-11/h4-9H,3H2,1-2H3.
What are the key properties of 6-ethyl-N-(4-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine?
6-ethyl-N-(4-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 287.36 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-(4-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 46362735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).