4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]aniline

C18H12FN3S — CID 73388464

IUPAC4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]aniline
SMILESNc1ccc(-c2ncnc3cc(-c4ccc(F)cc4)sc23)cc1
InChIInChI=1S/C18H12FN3S/c19-13-5-1-11(2-6-13)16-9-15-18(23-16)17(22-10-21-15)12-3-7-14(20)8-4-12/h1-10H,20H2
InChIKeyFLVZWCRABVYPHW-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.75
Rot. Bonds2

About 4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]aniline

4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]aniline (PubChem CID 73388464) has the molecular formula C18H12FN3S and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]aniline.

Molecular Properties

Compound Name4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]aniline
PubChem CID73388464
Molecular FormulaC18H12FN3S
Molecular Weight321.38 g/mol
Exact Mass321.07
IUPAC Name4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]aniline
SMILESNc1ccc(-c2ncnc3cc(-c4ccc(F)cc4)sc23)cc1
InChIInChI=1S/C18H12FN3S/c19-13-5-1-11(2-6-13)16-9-15-18(23-16)17(22-10-21-15)12-3-7-14(20)8-4-12/h1-10H,20H2
InChIKeyFLVZWCRABVYPHW-UHFFFAOYSA-N
XLogP4.75
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

Benzothieno[3,2-d]pyrimidine deriv. 63
CID 5328411
Benzothieno[3,2-d]pyrimidine deriv. 64
CID 5328412
Benzothieno[3,2-d]pyrimidine deriv. 51
CID 5328399
Benzothieno[3,2-d]pyrimidine deriv. 52
CID 5328400
Benzothieno[3,2-d]pyrimidine deriv. 53
CID 5328401
Thienopyrimidine deriv. 16
CID 6539993
Thienopyrimidine deriv. 17
CID 6539994
Thienopyrimidine deriv. 18
CID 6539995
6-Phenyl-thieno[3,2-d]pyrimidin-4-ylamine
CID 11499583
Benzothieno[3,2-d]pyrimidine deriv. 58
CID 5328406
Benzothieno[3,2-d]pyrimidine deriv. 59
CID 5328407
Benzothieno[3,2-d]pyrimidine deriv. 60
CID 5328408

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]aniline?
The IUPAC name of 4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]aniline (CID 73388464) is 4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]aniline.
What is the SMILES notation for 4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]aniline?
The canonical SMILES for 4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]aniline is Nc1ccc(-c2ncnc3cc(-c4ccc(F)cc4)sc23)cc1.
What is the InChIKey of 4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]aniline?
The InChIKey is FLVZWCRABVYPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3S/c19-13-5-1-11(2-6-13)16-9-15-18(23-16)17(22-10-21-15)12-3-7-14(20)8-4-12/h1-10H,20H2.
What are the key properties of 4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]aniline?
4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]aniline has a molecular weight of 321.38 g/mol, XLogP of 4.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]aniline is sourced from PubChem (CID 73388464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).