5-(4-fluorophenyl)-N-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine

C19H14FN3OS — CID 1194680

IUPAC5-(4-fluorophenyl)-N-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccccc1Nc1ncnc2scc(-c3ccc(F)cc3)c12
InChIInChI=1S/C19H14FN3OS/c1-24-16-5-3-2-4-15(16)23-18-17-14(10-25-19(17)22-11-21-18)12-6-8-13(20)9-7-12/h2-11H,1H3,(H,21,22,23)
InChIKeyVXYHPLZIFJIKQH-UHFFFAOYSA-N
MW351.41 g/mol
LogP5.25
Rot. Bonds4

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

5-(4-fluorophenyl)-N-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 1194680) has the molecular formula C19H14FN3OS and a molecular weight of 351.41 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID1194680
Molecular FormulaC19H14FN3OS
Molecular Weight351.41 g/mol
Exact Mass351.08
IUPAC Name5-(4-fluorophenyl)-N-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccccc1Nc1ncnc2scc(-c3ccc(F)cc3)c12
InChIInChI=1S/C19H14FN3OS/c1-24-16-5-3-2-4-15(16)23-18-17-14(10-25-19(17)22-11-21-18)12-6-8-13(20)9-7-12/h2-11H,1H3,(H,21,22,23)
InChIKeyVXYHPLZIFJIKQH-UHFFFAOYSA-N
XLogP5.25
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.41
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(4-fluorophenyl)-N-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine (CID 1194680) is 5-(4-fluorophenyl)-N-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-N-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(4-fluorophenyl)-N-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine is COc1ccccc1Nc1ncnc2scc(-c3ccc(F)cc3)c12.
What is the InChIKey of 5-(4-fluorophenyl)-N-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is VXYHPLZIFJIKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3OS/c1-24-16-5-3-2-4-15(16)23-18-17-14(10-25-19(17)22-11-21-18)12-6-8-13(20)9-7-12/h2-11H,1H3,(H,21,22,23).
What are the key properties of 5-(4-fluorophenyl)-N-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
5-(4-fluorophenyl)-N-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 351.41 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 1194680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).