6-amino-3-propyl-2-propylsulfanylpyrimidin-4-one

C10H17N3OS — CID 24824057

IUPAC6-amino-3-propyl-2-propylsulfanylpyrimidin-4-one
SMILESCCCSc1nc(N)cc(=O)n1CCC
InChIInChI=1S/C10H17N3OS/c1-3-5-13-9(14)7-8(11)12-10(13)15-6-4-2/h7H,3-6,11H2,1-2H3
InChIKeyGLTUVGHNJXGFAH-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.74
Rot. Bonds5

About 6-amino-3-propyl-2-propylsulfanylpyrimidin-4-one

6-amino-3-propyl-2-propylsulfanylpyrimidin-4-one (PubChem CID 24824057) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 6-amino-3-propyl-2-propylsulfanylpyrimidin-4-one.

Molecular Properties

Compound Name6-amino-3-propyl-2-propylsulfanylpyrimidin-4-one
PubChem CID24824057
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name6-amino-3-propyl-2-propylsulfanylpyrimidin-4-one
SMILESCCCSc1nc(N)cc(=O)n1CCC
InChIInChI=1S/C10H17N3OS/c1-3-5-13-9(14)7-8(11)12-10(13)15-6-4-2/h7H,3-6,11H2,1-2H3
InChIKeyGLTUVGHNJXGFAH-UHFFFAOYSA-N
XLogP1.74
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-propyl-2-propylsulfanylpyrimidin-4-one?
The IUPAC name of 6-amino-3-propyl-2-propylsulfanylpyrimidin-4-one (CID 24824057) is 6-amino-3-propyl-2-propylsulfanylpyrimidin-4-one.
What is the SMILES notation for 6-amino-3-propyl-2-propylsulfanylpyrimidin-4-one?
The canonical SMILES for 6-amino-3-propyl-2-propylsulfanylpyrimidin-4-one is CCCSc1nc(N)cc(=O)n1CCC.
What is the InChIKey of 6-amino-3-propyl-2-propylsulfanylpyrimidin-4-one?
The InChIKey is GLTUVGHNJXGFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-3-5-13-9(14)7-8(11)12-10(13)15-6-4-2/h7H,3-6,11H2,1-2H3.
What are the key properties of 6-amino-3-propyl-2-propylsulfanylpyrimidin-4-one?
6-amino-3-propyl-2-propylsulfanylpyrimidin-4-one has a molecular weight of 227.33 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-propyl-2-propylsulfanylpyrimidin-4-one is sourced from PubChem (CID 24824057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).