5-fluoro-4-N,4-N-dimethyl-2-N-(2-thiophen-2-ylethyl)pyrimidine-2,4-diamine

C12H15FN4S — CID 50953910

IUPAC5-fluoro-4-N,4-N-dimethyl-2-N-(2-thiophen-2-ylethyl)pyrimidine-2,4-diamine
SMILESCN(C)c1nc(NCCc2cccs2)ncc1F
InChIInChI=1S/C12H15FN4S/c1-17(2)11-10(13)8-15-12(16-11)14-6-5-9-4-3-7-18-9/h3-4,7-8H,5-6H2,1-2H3,(H,14,15,16)
InChIKeyATKHXTYDTVICRV-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.40
Rot. Bonds5

About 5-fluoro-4-N,4-N-dimethyl-2-N-(2-thiophen-2-ylethyl)pyrimidine-2,4-diamine

5-fluoro-4-N,4-N-dimethyl-2-N-(2-thiophen-2-ylethyl)pyrimidine-2,4-diamine (PubChem CID 50953910) has the molecular formula C12H15FN4S and a molecular weight of 266.34 g/mol. Its IUPAC name is 5-fluoro-4-N,4-N-dimethyl-2-N-(2-thiophen-2-ylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N,4-N-dimethyl-2-N-(2-thiophen-2-ylethyl)pyrimidine-2,4-diamine
PubChem CID50953910
Molecular FormulaC12H15FN4S
Molecular Weight266.34 g/mol
Exact Mass266.10
IUPAC Name5-fluoro-4-N,4-N-dimethyl-2-N-(2-thiophen-2-ylethyl)pyrimidine-2,4-diamine
SMILESCN(C)c1nc(NCCc2cccs2)ncc1F
InChIInChI=1S/C12H15FN4S/c1-17(2)11-10(13)8-15-12(16-11)14-6-5-9-4-3-7-18-9/h3-4,7-8H,5-6H2,1-2H3,(H,14,15,16)
InChIKeyATKHXTYDTVICRV-UHFFFAOYSA-N
XLogP2.40
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N,4-N-dimethyl-2-N-(2-thiophen-2-ylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N,4-N-dimethyl-2-N-(2-thiophen-2-ylethyl)pyrimidine-2,4-diamine (CID 50953910) is 5-fluoro-4-N,4-N-dimethyl-2-N-(2-thiophen-2-ylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N,4-N-dimethyl-2-N-(2-thiophen-2-ylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N,4-N-dimethyl-2-N-(2-thiophen-2-ylethyl)pyrimidine-2,4-diamine is CN(C)c1nc(NCCc2cccs2)ncc1F.
What is the InChIKey of 5-fluoro-4-N,4-N-dimethyl-2-N-(2-thiophen-2-ylethyl)pyrimidine-2,4-diamine?
The InChIKey is ATKHXTYDTVICRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4S/c1-17(2)11-10(13)8-15-12(16-11)14-6-5-9-4-3-7-18-9/h3-4,7-8H,5-6H2,1-2H3,(H,14,15,16).
What are the key properties of 5-fluoro-4-N,4-N-dimethyl-2-N-(2-thiophen-2-ylethyl)pyrimidine-2,4-diamine?
5-fluoro-4-N,4-N-dimethyl-2-N-(2-thiophen-2-ylethyl)pyrimidine-2,4-diamine has a molecular weight of 266.34 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N,4-N-dimethyl-2-N-(2-thiophen-2-ylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 50953910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).