2-methyl-5-propylsulfonylpyrimidin-4-amine

C8H13N3O2S — CID 2778662

IUPAC2-methyl-5-propylsulfonylpyrimidin-4-amine
SMILESCCCS(=O)(=O)c1cnc(C)nc1N
InChIInChI=1S/C8H13N3O2S/c1-3-4-14(12,13)7-5-10-6(2)11-8(7)9/h5H,3-4H2,1-2H3,(H2,9,10,11)
InChIKeyKBXTZVYHLQJYON-UHFFFAOYSA-N
MW215.28 g/mol
LogP0.55
Rot. Bonds3

About 2-methyl-5-propylsulfonylpyrimidin-4-amine

2-methyl-5-propylsulfonylpyrimidin-4-amine (PubChem CID 2778662) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is 2-methyl-5-propylsulfonylpyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-5-propylsulfonylpyrimidin-4-amine
PubChem CID2778662
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Name2-methyl-5-propylsulfonylpyrimidin-4-amine
SMILESCCCS(=O)(=O)c1cnc(C)nc1N
InChIInChI=1S/C8H13N3O2S/c1-3-4-14(12,13)7-5-10-6(2)11-8(7)9/h5H,3-4H2,1-2H3,(H2,9,10,11)
InChIKeyKBXTZVYHLQJYON-UHFFFAOYSA-N
XLogP0.55
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propylsulfonylpyrimidin-4-amine?
The IUPAC name of 2-methyl-5-propylsulfonylpyrimidin-4-amine (CID 2778662) is 2-methyl-5-propylsulfonylpyrimidin-4-amine.
What is the SMILES notation for 2-methyl-5-propylsulfonylpyrimidin-4-amine?
The canonical SMILES for 2-methyl-5-propylsulfonylpyrimidin-4-amine is CCCS(=O)(=O)c1cnc(C)nc1N.
What is the InChIKey of 2-methyl-5-propylsulfonylpyrimidin-4-amine?
The InChIKey is KBXTZVYHLQJYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-3-4-14(12,13)7-5-10-6(2)11-8(7)9/h5H,3-4H2,1-2H3,(H2,9,10,11).
What are the key properties of 2-methyl-5-propylsulfonylpyrimidin-4-amine?
2-methyl-5-propylsulfonylpyrimidin-4-amine has a molecular weight of 215.28 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propylsulfonylpyrimidin-4-amine is sourced from PubChem (CID 2778662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).