6-ethyl-5-fluoro-N-(8-methylsulfanyloctyl)pyrimidin-4-amine

C15H26FN3S — CID 19892124

IUPAC6-ethyl-5-fluoro-N-(8-methylsulfanyloctyl)pyrimidin-4-amine
SMILESCCc1ncnc(NCCCCCCCCSC)c1F
InChIInChI=1S/C15H26FN3S/c1-3-13-14(16)15(19-12-18-13)17-10-8-6-4-5-7-9-11-20-2/h12H,3-11H2,1-2H3,(H,17,18,19)
InChIKeyHSNWCJPVXGGFEE-UHFFFAOYSA-N
MW299.46 g/mol
LogP4.29
Rot. Bonds11

About 6-ethyl-5-fluoro-N-(8-methylsulfanyloctyl)pyrimidin-4-amine

6-ethyl-5-fluoro-N-(8-methylsulfanyloctyl)pyrimidin-4-amine (PubChem CID 19892124) has the molecular formula C15H26FN3S and a molecular weight of 299.46 g/mol. Its IUPAC name is 6-ethyl-5-fluoro-N-(8-methylsulfanyloctyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-fluoro-N-(8-methylsulfanyloctyl)pyrimidin-4-amine
PubChem CID19892124
Molecular FormulaC15H26FN3S
Molecular Weight299.46 g/mol
Exact Mass299.18
IUPAC Name6-ethyl-5-fluoro-N-(8-methylsulfanyloctyl)pyrimidin-4-amine
SMILESCCc1ncnc(NCCCCCCCCSC)c1F
InChIInChI=1S/C15H26FN3S/c1-3-13-14(16)15(19-12-18-13)17-10-8-6-4-5-7-9-11-20-2/h12H,3-11H2,1-2H3,(H,17,18,19)
InChIKeyHSNWCJPVXGGFEE-UHFFFAOYSA-N
XLogP4.29
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 54.29
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 6-ethyl-5-fluoro-N-(8-methylsulfanyloctyl)pyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-fluoro-N-(8-methylsulfanyloctyl)pyrimidin-4-amine (CID 19892124) is 6-ethyl-5-fluoro-N-(8-methylsulfanyloctyl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-fluoro-N-(8-methylsulfanyloctyl)pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-fluoro-N-(8-methylsulfanyloctyl)pyrimidin-4-amine is CCc1ncnc(NCCCCCCCCSC)c1F.
What is the InChIKey of 6-ethyl-5-fluoro-N-(8-methylsulfanyloctyl)pyrimidin-4-amine?
The InChIKey is HSNWCJPVXGGFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26FN3S/c1-3-13-14(16)15(19-12-18-13)17-10-8-6-4-5-7-9-11-20-2/h12H,3-11H2,1-2H3,(H,17,18,19).
What are the key properties of 6-ethyl-5-fluoro-N-(8-methylsulfanyloctyl)pyrimidin-4-amine?
6-ethyl-5-fluoro-N-(8-methylsulfanyloctyl)pyrimidin-4-amine has a molecular weight of 299.46 g/mol, XLogP of 4.29, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-fluoro-N-(8-methylsulfanyloctyl)pyrimidin-4-amine is sourced from PubChem (CID 19892124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).