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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Related Compounds

5-(tert-butylsulfonyl)-2-tetrahydro-1H-pyrrol-1-ylpyrimidin-4-amine
CID 2778663
5-(Tert-butylsulfonyl)-2-piperidinopyrimidin-4-amine
CID 2778670
5-(Isopropylsulfonyl)-2-morpholinopyrimidin-4-amine
CID 2819754
(4-Amino-2-methylpyrimidin-5-yl)methanesulfonic acid
CID 295887
5-(Tert-butylsulfonyl)-2-methylpyrimidin-4-amine
CID 2778601
5-(Isopropylsulfonyl)-2-piperidinopyrimidin-4-amine
CID 2778668
5-(Isopropylsulfonyl)-2-(pyrrolidin-1-yl)pyrimidin-4-amine
CID 2819755
5-(2-Methylpropane-2-sulfonyl)pyrimidine-2,4-diamine
CID 2778671
2-Chloro-5-methanesulfonylpyrimidine
CID 15653482
5-Methanesulfonylpyrimidin-2-amine
CID 57587959
5-Methanesulfonyl-2-(methylsulfanyl)pyrimidin-4-amine
CID 82392895
1-[2-Methyl-5-(methylsulfonyl)pyrimidin-4-yl]azepane
CID 72890393

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).