5-fluoro-N-(2-methyl-2-methylsulfanylpropyl)pyrimidin-2-amine

C9H14FN3S — CID 115750228

IUPAC5-fluoro-N-(2-methyl-2-methylsulfanylpropyl)pyrimidin-2-amine
SMILESCSC(C)(C)CNc1ncc(F)cn1
InChIInChI=1S/C9H14FN3S/c1-9(2,14-3)6-13-8-11-4-7(10)5-12-8/h4-5H,6H2,1-3H3,(H,11,12,13)
InChIKeyXBBFSXQNJAJINQ-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.17
Rot. Bonds4

About 5-fluoro-N-(2-methyl-2-methylsulfanylpropyl)pyrimidin-2-amine

5-fluoro-N-(2-methyl-2-methylsulfanylpropyl)pyrimidin-2-amine (PubChem CID 115750228) has the molecular formula C9H14FN3S and a molecular weight of 215.30 g/mol. Its IUPAC name is 5-fluoro-N-(2-methyl-2-methylsulfanylpropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-(2-methyl-2-methylsulfanylpropyl)pyrimidin-2-amine
PubChem CID115750228
Molecular FormulaC9H14FN3S
Molecular Weight215.30 g/mol
Exact Mass215.09
IUPAC Name5-fluoro-N-(2-methyl-2-methylsulfanylpropyl)pyrimidin-2-amine
SMILESCSC(C)(C)CNc1ncc(F)cn1
InChIInChI=1S/C9H14FN3S/c1-9(2,14-3)6-13-8-11-4-7(10)5-12-8/h4-5H,6H2,1-3H3,(H,11,12,13)
InChIKeyXBBFSXQNJAJINQ-UHFFFAOYSA-N
XLogP2.17
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(2-methyl-2-methylsulfanylpropyl)pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-(2-methyl-2-methylsulfanylpropyl)pyrimidin-2-amine (CID 115750228) is 5-fluoro-N-(2-methyl-2-methylsulfanylpropyl)pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-(2-methyl-2-methylsulfanylpropyl)pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-(2-methyl-2-methylsulfanylpropyl)pyrimidin-2-amine is CSC(C)(C)CNc1ncc(F)cn1.
What is the InChIKey of 5-fluoro-N-(2-methyl-2-methylsulfanylpropyl)pyrimidin-2-amine?
The InChIKey is XBBFSXQNJAJINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3S/c1-9(2,14-3)6-13-8-11-4-7(10)5-12-8/h4-5H,6H2,1-3H3,(H,11,12,13).
What are the key properties of 5-fluoro-N-(2-methyl-2-methylsulfanylpropyl)pyrimidin-2-amine?
5-fluoro-N-(2-methyl-2-methylsulfanylpropyl)pyrimidin-2-amine has a molecular weight of 215.30 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(2-methyl-2-methylsulfanylpropyl)pyrimidin-2-amine is sourced from PubChem (CID 115750228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).