5-fluoro-4-propan-2-ylsulfanyl-N-propylpyrimidin-2-amine

C10H16FN3S — CID 80886384

IUPAC5-fluoro-4-propan-2-ylsulfanyl-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(SC(C)C)n1
InChIInChI=1S/C10H16FN3S/c1-4-5-12-10-13-6-8(11)9(14-10)15-7(2)3/h6-7H,4-5H2,1-3H3,(H,12,13,14)
InChIKeyMQLIZQJYPLCXAM-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.94
Rot. Bonds5

About 5-fluoro-4-propan-2-ylsulfanyl-N-propylpyrimidin-2-amine

5-fluoro-4-propan-2-ylsulfanyl-N-propylpyrimidin-2-amine (PubChem CID 80886384) has the molecular formula C10H16FN3S and a molecular weight of 229.32 g/mol. Its IUPAC name is 5-fluoro-4-propan-2-ylsulfanyl-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-propan-2-ylsulfanyl-N-propylpyrimidin-2-amine
PubChem CID80886384
Molecular FormulaC10H16FN3S
Molecular Weight229.32 g/mol
Exact Mass229.10
IUPAC Name5-fluoro-4-propan-2-ylsulfanyl-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(SC(C)C)n1
InChIInChI=1S/C10H16FN3S/c1-4-5-12-10-13-6-8(11)9(14-10)15-7(2)3/h6-7H,4-5H2,1-3H3,(H,12,13,14)
InChIKeyMQLIZQJYPLCXAM-UHFFFAOYSA-N
XLogP2.94
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-propan-2-ylsulfanyl-N-propylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-propan-2-ylsulfanyl-N-propylpyrimidin-2-amine (CID 80886384) is 5-fluoro-4-propan-2-ylsulfanyl-N-propylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-propan-2-ylsulfanyl-N-propylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-propan-2-ylsulfanyl-N-propylpyrimidin-2-amine is CCCNc1ncc(F)c(SC(C)C)n1.
What is the InChIKey of 5-fluoro-4-propan-2-ylsulfanyl-N-propylpyrimidin-2-amine?
The InChIKey is MQLIZQJYPLCXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3S/c1-4-5-12-10-13-6-8(11)9(14-10)15-7(2)3/h6-7H,4-5H2,1-3H3,(H,12,13,14).
What are the key properties of 5-fluoro-4-propan-2-ylsulfanyl-N-propylpyrimidin-2-amine?
5-fluoro-4-propan-2-ylsulfanyl-N-propylpyrimidin-2-amine has a molecular weight of 229.32 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-propan-2-ylsulfanyl-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80886384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).