2-(3-fluoropropylsulfanyl)-6-methylpyrimidin-4-amine

C8H12FN3S — CID 81434419

IUPAC2-(3-fluoropropylsulfanyl)-6-methylpyrimidin-4-amine
SMILESCc1cc(N)nc(SCCCF)n1
InChIInChI=1S/C8H12FN3S/c1-6-5-7(10)12-8(11-6)13-4-2-3-9/h5H,2-4H2,1H3,(H2,10,11,12)
InChIKeyHNXDXOLFRQMAOB-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.82
Rot. Bonds4

About 2-(3-fluoropropylsulfanyl)-6-methylpyrimidin-4-amine

2-(3-fluoropropylsulfanyl)-6-methylpyrimidin-4-amine (PubChem CID 81434419) has the molecular formula C8H12FN3S and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-(3-fluoropropylsulfanyl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-fluoropropylsulfanyl)-6-methylpyrimidin-4-amine
PubChem CID81434419
Molecular FormulaC8H12FN3S
Molecular Weight201.27 g/mol
Exact Mass201.07
IUPAC Name2-(3-fluoropropylsulfanyl)-6-methylpyrimidin-4-amine
SMILESCc1cc(N)nc(SCCCF)n1
InChIInChI=1S/C8H12FN3S/c1-6-5-7(10)12-8(11-6)13-4-2-3-9/h5H,2-4H2,1H3,(H2,10,11,12)
InChIKeyHNXDXOLFRQMAOB-UHFFFAOYSA-N
XLogP1.82
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoropropylsulfanyl)-6-methylpyrimidin-4-amine?
The IUPAC name of 2-(3-fluoropropylsulfanyl)-6-methylpyrimidin-4-amine (CID 81434419) is 2-(3-fluoropropylsulfanyl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(3-fluoropropylsulfanyl)-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-(3-fluoropropylsulfanyl)-6-methylpyrimidin-4-amine is Cc1cc(N)nc(SCCCF)n1.
What is the InChIKey of 2-(3-fluoropropylsulfanyl)-6-methylpyrimidin-4-amine?
The InChIKey is HNXDXOLFRQMAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3S/c1-6-5-7(10)12-8(11-6)13-4-2-3-9/h5H,2-4H2,1H3,(H2,10,11,12).
What are the key properties of 2-(3-fluoropropylsulfanyl)-6-methylpyrimidin-4-amine?
2-(3-fluoropropylsulfanyl)-6-methylpyrimidin-4-amine has a molecular weight of 201.27 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropropylsulfanyl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 81434419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).