5-methyl-6-(3-methylbutylsulfanyl)-2-propylpyrimidin-4-amine

C13H23N3S — CID 107766053

IUPAC5-methyl-6-(3-methylbutylsulfanyl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(N)c(C)c(SCCC(C)C)n1
InChIInChI=1S/C13H23N3S/c1-5-6-11-15-12(14)10(4)13(16-11)17-8-7-9(2)3/h9H,5-8H2,1-4H3,(H2,14,15,16)
InChIKeyFVIGWVSIESBUQD-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.46
Rot. Bonds6

About 5-methyl-6-(3-methylbutylsulfanyl)-2-propylpyrimidin-4-amine

5-methyl-6-(3-methylbutylsulfanyl)-2-propylpyrimidin-4-amine (PubChem CID 107766053) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 5-methyl-6-(3-methylbutylsulfanyl)-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-6-(3-methylbutylsulfanyl)-2-propylpyrimidin-4-amine
PubChem CID107766053
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name5-methyl-6-(3-methylbutylsulfanyl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(N)c(C)c(SCCC(C)C)n1
InChIInChI=1S/C13H23N3S/c1-5-6-11-15-12(14)10(4)13(16-11)17-8-7-9(2)3/h9H,5-8H2,1-4H3,(H2,14,15,16)
InChIKeyFVIGWVSIESBUQD-UHFFFAOYSA-N
XLogP3.46
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-(3-methylbutylsulfanyl)-2-propylpyrimidin-4-amine?
The IUPAC name of 5-methyl-6-(3-methylbutylsulfanyl)-2-propylpyrimidin-4-amine (CID 107766053) is 5-methyl-6-(3-methylbutylsulfanyl)-2-propylpyrimidin-4-amine.
What is the SMILES notation for 5-methyl-6-(3-methylbutylsulfanyl)-2-propylpyrimidin-4-amine?
The canonical SMILES for 5-methyl-6-(3-methylbutylsulfanyl)-2-propylpyrimidin-4-amine is CCCc1nc(N)c(C)c(SCCC(C)C)n1.
What is the InChIKey of 5-methyl-6-(3-methylbutylsulfanyl)-2-propylpyrimidin-4-amine?
The InChIKey is FVIGWVSIESBUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-5-6-11-15-12(14)10(4)13(16-11)17-8-7-9(2)3/h9H,5-8H2,1-4H3,(H2,14,15,16).
What are the key properties of 5-methyl-6-(3-methylbutylsulfanyl)-2-propylpyrimidin-4-amine?
5-methyl-6-(3-methylbutylsulfanyl)-2-propylpyrimidin-4-amine has a molecular weight of 253.41 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(3-methylbutylsulfanyl)-2-propylpyrimidin-4-amine is sourced from PubChem (CID 107766053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).