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

C14H12FN3S — CID 63614303

IUPAC6-ethyl-2-(2-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(N)nc(-c3ccccc3F)nc2s1
InChIInChI=1S/C14H12FN3S/c1-2-8-7-10-12(16)17-13(18-14(10)19-8)9-5-3-4-6-11(9)15/h3-7H,2H2,1H3,(H2,16,17,18)
InChIKeyMJKBQOOKRCMGLS-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.64
Rot. Bonds2

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

6-ethyl-2-(2-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 63614303) has the molecular formula C14H12FN3S and a molecular weight of 273.34 g/mol. Its IUPAC name is 6-ethyl-2-(2-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-2-(2-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID63614303
Molecular FormulaC14H12FN3S
Molecular Weight273.34 g/mol
Exact Mass273.07
IUPAC Name6-ethyl-2-(2-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(N)nc(-c3ccccc3F)nc2s1
InChIInChI=1S/C14H12FN3S/c1-2-8-7-10-12(16)17-13(18-14(10)19-8)9-5-3-4-6-11(9)15/h3-7H,2H2,1H3,(H2,16,17,18)
InChIKeyMJKBQOOKRCMGLS-UHFFFAOYSA-N
XLogP3.64
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-(2-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-2-(2-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine (CID 63614303) is 6-ethyl-2-(2-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-2-(2-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-2-(2-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine is CCc1cc2c(N)nc(-c3ccccc3F)nc2s1.
What is the InChIKey of 6-ethyl-2-(2-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is MJKBQOOKRCMGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3S/c1-2-8-7-10-12(16)17-13(18-14(10)19-8)9-5-3-4-6-11(9)15/h3-7H,2H2,1H3,(H2,16,17,18).
What are the key properties of 6-ethyl-2-(2-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine?
6-ethyl-2-(2-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 273.34 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-(2-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 63614303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).