5-fluoro-N,N-dimethyl-2-(1H-thieno[3,4-d]imidazol-2-ylsulfinylmethyl)pyrimidin-4-amine

C12H12FN5OS2 — CID 22166914

IUPAC5-fluoro-N,N-dimethyl-2-(1H-thieno[3,4-d]imidazol-2-ylsulfinylmethyl)pyrimidin-4-amine
SMILESCN(C)c1nc(CS(=O)c2nc3cscc3[nH]2)ncc1F
InChIInChI=1S/C12H12FN5OS2/c1-18(2)11-7(13)3-14-10(17-11)6-21(19)12-15-8-4-20-5-9(8)16-12/h3-5H,6H2,1-2H3,(H,15,16)
InChIKeyFUQWCONEQOOULV-UHFFFAOYSA-N
MW325.39 g/mol
LogP1.93
Rot. Bonds4

About 5-fluoro-N,N-dimethyl-2-(1H-thieno[3,4-d]imidazol-2-ylsulfinylmethyl)pyrimidin-4-amine

5-fluoro-N,N-dimethyl-2-(1H-thieno[3,4-d]imidazol-2-ylsulfinylmethyl)pyrimidin-4-amine (PubChem CID 22166914) has the molecular formula C12H12FN5OS2 and a molecular weight of 325.39 g/mol. Its IUPAC name is 5-fluoro-N,N-dimethyl-2-(1H-thieno[3,4-d]imidazol-2-ylsulfinylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-N,N-dimethyl-2-(1H-thieno[3,4-d]imidazol-2-ylsulfinylmethyl)pyrimidin-4-amine
PubChem CID22166914
Molecular FormulaC12H12FN5OS2
Molecular Weight325.39 g/mol
Exact Mass325.05
IUPAC Name5-fluoro-N,N-dimethyl-2-(1H-thieno[3,4-d]imidazol-2-ylsulfinylmethyl)pyrimidin-4-amine
SMILESCN(C)c1nc(CS(=O)c2nc3cscc3[nH]2)ncc1F
InChIInChI=1S/C12H12FN5OS2/c1-18(2)11-7(13)3-14-10(17-11)6-21(19)12-15-8-4-20-5-9(8)16-12/h3-5H,6H2,1-2H3,(H,15,16)
InChIKeyFUQWCONEQOOULV-UHFFFAOYSA-N
XLogP1.93
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N,N-dimethyl-2-(1H-thieno[3,4-d]imidazol-2-ylsulfinylmethyl)pyrimidin-4-amine?
The IUPAC name of 5-fluoro-N,N-dimethyl-2-(1H-thieno[3,4-d]imidazol-2-ylsulfinylmethyl)pyrimidin-4-amine (CID 22166914) is 5-fluoro-N,N-dimethyl-2-(1H-thieno[3,4-d]imidazol-2-ylsulfinylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-N,N-dimethyl-2-(1H-thieno[3,4-d]imidazol-2-ylsulfinylmethyl)pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-N,N-dimethyl-2-(1H-thieno[3,4-d]imidazol-2-ylsulfinylmethyl)pyrimidin-4-amine is CN(C)c1nc(CS(=O)c2nc3cscc3[nH]2)ncc1F.
What is the InChIKey of 5-fluoro-N,N-dimethyl-2-(1H-thieno[3,4-d]imidazol-2-ylsulfinylmethyl)pyrimidin-4-amine?
The InChIKey is FUQWCONEQOOULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN5OS2/c1-18(2)11-7(13)3-14-10(17-11)6-21(19)12-15-8-4-20-5-9(8)16-12/h3-5H,6H2,1-2H3,(H,15,16).
What are the key properties of 5-fluoro-N,N-dimethyl-2-(1H-thieno[3,4-d]imidazol-2-ylsulfinylmethyl)pyrimidin-4-amine?
5-fluoro-N,N-dimethyl-2-(1H-thieno[3,4-d]imidazol-2-ylsulfinylmethyl)pyrimidin-4-amine has a molecular weight of 325.39 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N,N-dimethyl-2-(1H-thieno[3,4-d]imidazol-2-ylsulfinylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 22166914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).