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

C13H10FN3S — CID 140996813

IUPACN-[(4-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-2-amine
SMILESFc1ccc(CNc2ncc3ccsc3n2)cc1
InChIInChI=1S/C13H10FN3S/c14-11-3-1-9(2-4-11)7-15-13-16-8-10-5-6-18-12(10)17-13/h1-6,8H,7H2,(H,15,16,17)
InChIKeyILGTUGHXWIJDRR-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.44
Rot. Bonds3

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

N-[(4-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-2-amine (PubChem CID 140996813) has the molecular formula C13H10FN3S and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-2-amine
PubChem CID140996813
Molecular FormulaC13H10FN3S
Molecular Weight259.31 g/mol
Exact Mass259.06
IUPAC NameN-[(4-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-2-amine
SMILESFc1ccc(CNc2ncc3ccsc3n2)cc1
InChIInChI=1S/C13H10FN3S/c14-11-3-1-9(2-4-11)7-15-13-16-8-10-5-6-18-12(10)17-13/h1-6,8H,7H2,(H,15,16,17)
InChIKeyILGTUGHXWIJDRR-UHFFFAOYSA-N
XLogP3.44
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-3-hydrazinyl-6-thiophen-2-ylpyrazin-2-amine
CID 142987115
N-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-2-amine
CID 114273415
2,4-dimethyl-1-(thieno[2,3-d]pyrimidin-2-ylamino)pentan-2-ol
CID 114273441
4-N-[(4-fluorophenyl)methyl]-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80777231
1-(4-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 60962189
N-[(4-fluorophenyl)methyl]-1,3-thiazol-5-amine
CID 91208899
N-[[4-[[(4,6-difluoropyrimidin-2-yl)amino]methyl]phenyl]methyl]-4,6-difluoropyrimidin-2-amine
CID 58757240
4-ethoxy-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine
CID 112636517
N-[(4-fluorophenyl)methyl]-1H-imidazol-2-amine
CID 83697845
4-fluoro-N-[(4-fluorophenyl)methyl]aniline
CID 1133337
2-chloro-5-fluoro-N-[(4-fluorophenyl)methyl]pyrimidin-4-amine
CID 79081337
N-[(4-fluorophenyl)methyl]-2-(1,3-thiazol-2-yl)ethanamine
CID 62196333

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-2-amine (CID 140996813) is N-[(4-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-2-amine is Fc1ccc(CNc2ncc3ccsc3n2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-2-amine?
The InChIKey is ILGTUGHXWIJDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3S/c14-11-3-1-9(2-4-11)7-15-13-16-8-10-5-6-18-12(10)17-13/h1-6,8H,7H2,(H,15,16,17).
What are the key properties of N-[(4-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-2-amine?
N-[(4-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-2-amine has a molecular weight of 259.31 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 140996813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).