N-(4-fluoro-2-propan-2-yloxyphenyl)thieno[2,3-d]pyrimidin-4-amine

C15H14FN3OS — CID 68792044

IUPACN-(4-fluoro-2-propan-2-yloxyphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCC(C)Oc1cc(F)ccc1Nc1ncnc2sccc12
InChIInChI=1S/C15H14FN3OS/c1-9(2)20-13-7-10(16)3-4-12(13)19-14-11-5-6-21-15(11)18-8-17-14/h3-9H,1-2H3,(H,17,18,19)
InChIKeyIYLJOAWQIYMIJK-UHFFFAOYSA-N
MW303.36 g/mol
LogP4.36
Rot. Bonds4

About N-(4-fluoro-2-propan-2-yloxyphenyl)thieno[2,3-d]pyrimidin-4-amine

N-(4-fluoro-2-propan-2-yloxyphenyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 68792044) has the molecular formula C15H14FN3OS and a molecular weight of 303.36 g/mol. Its IUPAC name is N-(4-fluoro-2-propan-2-yloxyphenyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-fluoro-2-propan-2-yloxyphenyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID68792044
Molecular FormulaC15H14FN3OS
Molecular Weight303.36 g/mol
Exact Mass303.08
IUPAC NameN-(4-fluoro-2-propan-2-yloxyphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCC(C)Oc1cc(F)ccc1Nc1ncnc2sccc12
InChIInChI=1S/C15H14FN3OS/c1-9(2)20-13-7-10(16)3-4-12(13)19-14-11-5-6-21-15(11)18-8-17-14/h3-9H,1-2H3,(H,17,18,19)
InChIKeyIYLJOAWQIYMIJK-UHFFFAOYSA-N
XLogP4.36
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-propan-2-yloxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(4-fluoro-2-propan-2-yloxyphenyl)thieno[2,3-d]pyrimidin-4-amine (CID 68792044) is N-(4-fluoro-2-propan-2-yloxyphenyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-fluoro-2-propan-2-yloxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(4-fluoro-2-propan-2-yloxyphenyl)thieno[2,3-d]pyrimidin-4-amine is CC(C)Oc1cc(F)ccc1Nc1ncnc2sccc12.
What is the InChIKey of N-(4-fluoro-2-propan-2-yloxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is IYLJOAWQIYMIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3OS/c1-9(2)20-13-7-10(16)3-4-12(13)19-14-11-5-6-21-15(11)18-8-17-14/h3-9H,1-2H3,(H,17,18,19).
What are the key properties of N-(4-fluoro-2-propan-2-yloxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
N-(4-fluoro-2-propan-2-yloxyphenyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 303.36 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-propan-2-yloxyphenyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 68792044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).