6-benzylsulfanyl-2-methyl-N-propylpyrimidin-4-amine

C15H19N3S — CID 80888395

IUPAC6-benzylsulfanyl-2-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(SCc2ccccc2)nc(C)n1
InChIInChI=1S/C15H19N3S/c1-3-9-16-14-10-15(18-12(2)17-14)19-11-13-7-5-4-6-8-13/h4-8,10H,3,9,11H2,1-2H3,(H,16,17,18)
InChIKeyZICMCLALCIEPAN-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.90
Rot. Bonds6

About 6-benzylsulfanyl-2-methyl-N-propylpyrimidin-4-amine

6-benzylsulfanyl-2-methyl-N-propylpyrimidin-4-amine (PubChem CID 80888395) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 6-benzylsulfanyl-2-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-benzylsulfanyl-2-methyl-N-propylpyrimidin-4-amine
PubChem CID80888395
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name6-benzylsulfanyl-2-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(SCc2ccccc2)nc(C)n1
InChIInChI=1S/C15H19N3S/c1-3-9-16-14-10-15(18-12(2)17-14)19-11-13-7-5-4-6-8-13/h4-8,10H,3,9,11H2,1-2H3,(H,16,17,18)
InChIKeyZICMCLALCIEPAN-UHFFFAOYSA-N
XLogP3.90
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-benzylsulfanyl-2-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-benzylsulfanyl-2-methyl-N-propylpyrimidin-4-amine (CID 80888395) is 6-benzylsulfanyl-2-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-benzylsulfanyl-2-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-benzylsulfanyl-2-methyl-N-propylpyrimidin-4-amine is CCCNc1cc(SCc2ccccc2)nc(C)n1.
What is the InChIKey of 6-benzylsulfanyl-2-methyl-N-propylpyrimidin-4-amine?
The InChIKey is ZICMCLALCIEPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-3-9-16-14-10-15(18-12(2)17-14)19-11-13-7-5-4-6-8-13/h4-8,10H,3,9,11H2,1-2H3,(H,16,17,18).
What are the key properties of 6-benzylsulfanyl-2-methyl-N-propylpyrimidin-4-amine?
6-benzylsulfanyl-2-methyl-N-propylpyrimidin-4-amine has a molecular weight of 273.40 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzylsulfanyl-2-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80888395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).