N-[(2-bromo-5-fluorophenyl)methyl]-2-chlorothieno[2,3-d]pyrimidin-4-amine

C13H8BrClFN3S — CID 106193585

IUPACN-[(2-bromo-5-fluorophenyl)methyl]-2-chlorothieno[2,3-d]pyrimidin-4-amine
SMILESFc1ccc(Br)c(CNc2nc(Cl)nc3sccc23)c1
InChIInChI=1S/C13H8BrClFN3S/c14-10-2-1-8(16)5-7(10)6-17-11-9-3-4-20-12(9)19-13(15)18-11/h1-5H,6H2,(H,17,18,19)
InChIKeyIQNCCCHYULPXIG-UHFFFAOYSA-N
MW372.65 g/mol
LogP4.86
Rot. Bonds3

About N-[(2-bromo-5-fluorophenyl)methyl]-2-chlorothieno[2,3-d]pyrimidin-4-amine

N-[(2-bromo-5-fluorophenyl)methyl]-2-chlorothieno[2,3-d]pyrimidin-4-amine (PubChem CID 106193585) has the molecular formula C13H8BrClFN3S and a molecular weight of 372.65 g/mol. Its IUPAC name is N-[(2-bromo-5-fluorophenyl)methyl]-2-chlorothieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-bromo-5-fluorophenyl)methyl]-2-chlorothieno[2,3-d]pyrimidin-4-amine
PubChem CID106193585
Molecular FormulaC13H8BrClFN3S
Molecular Weight372.65 g/mol
Exact Mass370.93
IUPAC NameN-[(2-bromo-5-fluorophenyl)methyl]-2-chlorothieno[2,3-d]pyrimidin-4-amine
SMILESFc1ccc(Br)c(CNc2nc(Cl)nc3sccc23)c1
InChIInChI=1S/C13H8BrClFN3S/c14-10-2-1-8(16)5-7(10)6-17-11-9-3-4-20-12(9)19-13(15)18-11/h1-5H,6H2,(H,17,18,19)
InChIKeyIQNCCCHYULPXIG-UHFFFAOYSA-N
XLogP4.86
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.65
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-bromo-5-fluorophenyl)methyl]-6-chloro-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 106193592
2-chloro-N-(2,5-dibromophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320957
2-chloro-N-[(4-chlorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103320451
2-chloro-N-(4-fluoro-2-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320393
2-chloro-N-(1H-pyrazol-5-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 106194374
[3-[[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]methanol
CID 106197100
2-chloro-N-(3,5-dichloro-4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 107576856
2-chloro-N-(3,4-difluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320380
N-[(2-bromo-5-fluorophenyl)methyl]-2-chloro-6-(trifluoromethyl)pyrimidin-4-amine
CID 106193620
2-chloro-N-(3,3-dimethylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 103322597
N-[(2-bromo-5-fluorophenyl)methyl]-1-benzothiophen-5-amine
CID 65473524
4-N-[(2-bromophenyl)methyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325539

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-2-chlorothieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-2-chlorothieno[2,3-d]pyrimidin-4-amine (CID 106193585) is N-[(2-bromo-5-fluorophenyl)methyl]-2-chlorothieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(2-bromo-5-fluorophenyl)methyl]-2-chlorothieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(2-bromo-5-fluorophenyl)methyl]-2-chlorothieno[2,3-d]pyrimidin-4-amine is Fc1ccc(Br)c(CNc2nc(Cl)nc3sccc23)c1.
What is the InChIKey of N-[(2-bromo-5-fluorophenyl)methyl]-2-chlorothieno[2,3-d]pyrimidin-4-amine?
The InChIKey is IQNCCCHYULPXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClFN3S/c14-10-2-1-8(16)5-7(10)6-17-11-9-3-4-20-12(9)19-13(15)18-11/h1-5H,6H2,(H,17,18,19).
What are the key properties of N-[(2-bromo-5-fluorophenyl)methyl]-2-chlorothieno[2,3-d]pyrimidin-4-amine?
N-[(2-bromo-5-fluorophenyl)methyl]-2-chlorothieno[2,3-d]pyrimidin-4-amine has a molecular weight of 372.65 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-fluorophenyl)methyl]-2-chlorothieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 106193585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).