N-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine

C16H17FN4S — CID 4782307

IUPACN-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1ncnc2cc(-c3ccc(F)cc3)sc12
InChIInChI=1S/C16H17FN4S/c1-21(2)8-7-18-16-15-13(19-10-20-16)9-14(22-15)11-3-5-12(17)6-4-11/h3-6,9-10H,7-8H2,1-2H3,(H,18,19,20)
InChIKeyYIXLWYIQKTVQGX-UHFFFAOYSA-N
MW316.41 g/mol
LogP3.47
Rot. Bonds5

About N-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine

N-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 4782307) has the molecular formula C16H17FN4S and a molecular weight of 316.41 g/mol. Its IUPAC name is N-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
PubChem CID4782307
Molecular FormulaC16H17FN4S
Molecular Weight316.41 g/mol
Exact Mass316.12
IUPAC NameN-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1ncnc2cc(-c3ccc(F)cc3)sc12
InChIInChI=1S/C16H17FN4S/c1-21(2)8-7-18-16-15-13(19-10-20-16)9-14(22-15)11-3-5-12(17)6-4-11/h3-6,9-10H,7-8H2,1-2H3,(H,18,19,20)
InChIKeyYIXLWYIQKTVQGX-UHFFFAOYSA-N
XLogP3.47
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine (CID 4782307) is N-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine is CN(C)CCNc1ncnc2cc(-c3ccc(F)cc3)sc12.
What is the InChIKey of N-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is YIXLWYIQKTVQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4S/c1-21(2)8-7-18-16-15-13(19-10-20-16)9-14(22-15)11-3-5-12(17)6-4-11/h3-6,9-10H,7-8H2,1-2H3,(H,18,19,20).
What are the key properties of N-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine?
N-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 316.41 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 4782307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).