5-fluoro-N,N-dimethyl-2-methylsulfanylpyrimidin-4-amine

C7H10FN3S — CID 685638

IUPAC5-fluoro-N,N-dimethyl-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1ncc(F)c(N(C)C)n1
InChIInChI=1S/C7H10FN3S/c1-11(2)6-5(8)4-9-7(10-6)12-3/h4H,1-3H3
InChIKeyAXRPQEQGYDHRKG-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.40
Rot. Bonds2

About 5-fluoro-N,N-dimethyl-2-methylsulfanylpyrimidin-4-amine

5-fluoro-N,N-dimethyl-2-methylsulfanylpyrimidin-4-amine (PubChem CID 685638) has the molecular formula C7H10FN3S and a molecular weight of 187.24 g/mol. Its IUPAC name is 5-fluoro-N,N-dimethyl-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-N,N-dimethyl-2-methylsulfanylpyrimidin-4-amine
PubChem CID685638
Molecular FormulaC7H10FN3S
Molecular Weight187.24 g/mol
Exact Mass187.06
IUPAC Name5-fluoro-N,N-dimethyl-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1ncc(F)c(N(C)C)n1
InChIInChI=1S/C7H10FN3S/c1-11(2)6-5(8)4-9-7(10-6)12-3/h4H,1-3H3
InChIKeyAXRPQEQGYDHRKG-UHFFFAOYSA-N
XLogP1.40
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N,N-dimethyl-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 5-fluoro-N,N-dimethyl-2-methylsulfanylpyrimidin-4-amine (CID 685638) is 5-fluoro-N,N-dimethyl-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-N,N-dimethyl-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 5-fluoro-N,N-dimethyl-2-methylsulfanylpyrimidin-4-amine is CSc1ncc(F)c(N(C)C)n1.
What is the InChIKey of 5-fluoro-N,N-dimethyl-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is AXRPQEQGYDHRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN3S/c1-11(2)6-5(8)4-9-7(10-6)12-3/h4H,1-3H3.
What are the key properties of 5-fluoro-N,N-dimethyl-2-methylsulfanylpyrimidin-4-amine?
5-fluoro-N,N-dimethyl-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 187.24 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N,N-dimethyl-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 685638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).