4-(3,5-difluorophenyl)thieno[3,2-d]pyrimidin-2-amine

C12H7F2N3S — CID 112750355

IUPAC4-(3,5-difluorophenyl)thieno[3,2-d]pyrimidin-2-amine
SMILESNc1nc(-c2cc(F)cc(F)c2)c2sccc2n1
InChIInChI=1S/C12H7F2N3S/c13-7-3-6(4-8(14)5-7)10-11-9(1-2-18-11)16-12(15)17-10/h1-5H,(H2,15,16,17)
InChIKeyCBFKHWMRAFUXAJ-UHFFFAOYSA-N
MW263.27 g/mol
LogP3.22
Rot. Bonds1

About 4-(3,5-difluorophenyl)thieno[3,2-d]pyrimidin-2-amine

4-(3,5-difluorophenyl)thieno[3,2-d]pyrimidin-2-amine (PubChem CID 112750355) has the molecular formula C12H7F2N3S and a molecular weight of 263.27 g/mol. Its IUPAC name is 4-(3,5-difluorophenyl)thieno[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3,5-difluorophenyl)thieno[3,2-d]pyrimidin-2-amine
PubChem CID112750355
Molecular FormulaC12H7F2N3S
Molecular Weight263.27 g/mol
Exact Mass263.03
IUPAC Name4-(3,5-difluorophenyl)thieno[3,2-d]pyrimidin-2-amine
SMILESNc1nc(-c2cc(F)cc(F)c2)c2sccc2n1
InChIInChI=1S/C12H7F2N3S/c13-7-3-6(4-8(14)5-7)10-11-9(1-2-18-11)16-12(15)17-10/h1-5H,(H2,15,16,17)
InChIKeyCBFKHWMRAFUXAJ-UHFFFAOYSA-N
XLogP3.22
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-difluorothieno[3,2-d]pyrimidine
CID 141193724
5-(2-methylthieno[3,2-d]pyrimidin-4-yl)pyridin-2-amine
CID 163307765
5-methylthieno[3,2-b]pyridin-7-amine
CID 66356248
2-aminothieno[3,2-d][1,3]thiazin-4-one
CID 10631349
4-(2,5-difluorophenyl)thieno[3,2-d]pyrimidine
CID 58661207
4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenylthieno[3,2-d]pyrimidine
CID 130210848
4-(3-chloro-5-fluorophenyl)-5-fluoropyrimidin-2-amine
CID 115504839
6-methyl-5-(trifluoromethyl)thieno[3,2-b]pyridin-7-amine
CID 66356037
4,6-diphenylthieno[3,2-d]pyrimidin-2-amine
CID 145380929
4-(3,5-difluorophenyl)-5-thiophen-2-yl-1H-pyrazol-3-amine
CID 61496475
4-N-pentan-2-ylthieno[3,2-d]pyrimidine-2,4-diamine
CID 121402886
4-N-(2-methylpentan-3-yl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 112750443

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-difluorophenyl)thieno[3,2-d]pyrimidin-2-amine?
The IUPAC name of 4-(3,5-difluorophenyl)thieno[3,2-d]pyrimidin-2-amine (CID 112750355) is 4-(3,5-difluorophenyl)thieno[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(3,5-difluorophenyl)thieno[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 4-(3,5-difluorophenyl)thieno[3,2-d]pyrimidin-2-amine is Nc1nc(-c2cc(F)cc(F)c2)c2sccc2n1.
What is the InChIKey of 4-(3,5-difluorophenyl)thieno[3,2-d]pyrimidin-2-amine?
The InChIKey is CBFKHWMRAFUXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F2N3S/c13-7-3-6(4-8(14)5-7)10-11-9(1-2-18-11)16-12(15)17-10/h1-5H,(H2,15,16,17).
What are the key properties of 4-(3,5-difluorophenyl)thieno[3,2-d]pyrimidin-2-amine?
4-(3,5-difluorophenyl)thieno[3,2-d]pyrimidin-2-amine has a molecular weight of 263.27 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-difluorophenyl)thieno[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 112750355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).