N-butyl-6-fluoro-5-methyl-2-methylsulfanylpyrimidin-4-amine

C10H16FN3S — CID 14516697

IUPACN-butyl-6-fluoro-5-methyl-2-methylsulfanylpyrimidin-4-amine
SMILESCCCCNc1nc(SC)nc(F)c1C
InChIInChI=1S/C10H16FN3S/c1-4-5-6-12-9-7(2)8(11)13-10(14-9)15-3/h4-6H2,1-3H3,(H,12,13,14)
InChIKeyMZHDBGQSGRWJJG-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.86
Rot. Bonds5

About N-butyl-6-fluoro-5-methyl-2-methylsulfanylpyrimidin-4-amine

N-butyl-6-fluoro-5-methyl-2-methylsulfanylpyrimidin-4-amine (PubChem CID 14516697) has the molecular formula C10H16FN3S and a molecular weight of 229.32 g/mol. Its IUPAC name is N-butyl-6-fluoro-5-methyl-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound NameN-butyl-6-fluoro-5-methyl-2-methylsulfanylpyrimidin-4-amine
PubChem CID14516697
Molecular FormulaC10H16FN3S
Molecular Weight229.32 g/mol
Exact Mass229.10
IUPAC NameN-butyl-6-fluoro-5-methyl-2-methylsulfanylpyrimidin-4-amine
SMILESCCCCNc1nc(SC)nc(F)c1C
InChIInChI=1S/C10H16FN3S/c1-4-5-6-12-9-7(2)8(11)13-10(14-9)15-3/h4-6H2,1-3H3,(H,12,13,14)
InChIKeyMZHDBGQSGRWJJG-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
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 N-butyl-6-fluoro-5-methyl-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of N-butyl-6-fluoro-5-methyl-2-methylsulfanylpyrimidin-4-amine (CID 14516697) is N-butyl-6-fluoro-5-methyl-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for N-butyl-6-fluoro-5-methyl-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for N-butyl-6-fluoro-5-methyl-2-methylsulfanylpyrimidin-4-amine is CCCCNc1nc(SC)nc(F)c1C.
What is the InChIKey of N-butyl-6-fluoro-5-methyl-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is MZHDBGQSGRWJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3S/c1-4-5-6-12-9-7(2)8(11)13-10(14-9)15-3/h4-6H2,1-3H3,(H,12,13,14).
What are the key properties of N-butyl-6-fluoro-5-methyl-2-methylsulfanylpyrimidin-4-amine?
N-butyl-6-fluoro-5-methyl-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 229.32 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-fluoro-5-methyl-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 14516697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).