1-(2-methylsulfonylpyrimidin-5-yl)hexan-2-amine

C11H19N3O2S — CID 175811986

IUPAC1-(2-methylsulfonylpyrimidin-5-yl)hexan-2-amine
SMILESCCCCC(N)Cc1cnc(S(C)(=O)=O)nc1
InChIInChI=1S/C11H19N3O2S/c1-3-4-5-10(12)6-9-7-13-11(14-8-9)17(2,15)16/h7-8,10H,3-6,12H2,1-2H3
InChIKeyWXZLFXPBFOOGKT-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.94
Rot. Bonds6

About 1-(2-methylsulfonylpyrimidin-5-yl)hexan-2-amine

1-(2-methylsulfonylpyrimidin-5-yl)hexan-2-amine (PubChem CID 175811986) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 1-(2-methylsulfonylpyrimidin-5-yl)hexan-2-amine.

Molecular Properties

Compound Name1-(2-methylsulfonylpyrimidin-5-yl)hexan-2-amine
PubChem CID175811986
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name1-(2-methylsulfonylpyrimidin-5-yl)hexan-2-amine
SMILESCCCCC(N)Cc1cnc(S(C)(=O)=O)nc1
InChIInChI=1S/C11H19N3O2S/c1-3-4-5-10(12)6-9-7-13-11(14-8-9)17(2,15)16/h7-8,10H,3-6,12H2,1-2H3
InChIKeyWXZLFXPBFOOGKT-UHFFFAOYSA-N
XLogP0.94
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methylpyrimidin-5-yl)pentan-2-amine
CID 82409313
1-(4-propylphenyl)hexan-2-amine
CID 82255234
6-(2-methylsulfonylpyrimidin-5-yl)hexanamide
CID 175811945
1-(5-bromo-3-pyridinyl)octan-2-amine
CID 105036807
1-pyridin-3-ylundecan-2-amine
CID 62603230
1-(4-ethylphenyl)undecan-2-amine
CID 115803351
4-(2-aminohexyl)benzonitrile
CID 174547393
1-(3,5-dimethylphenyl)undecan-2-amine
CID 63416207
1-(4-fluorophenyl)undecan-2-amine
CID 63412478
4-(2-aminooctyl)phenol
CID 69403996
1-(4-fluorophenyl)octan-2-amine
CID 62600868
(2S)-1-(6-methoxy-3-pyridinyl)pentan-2-amine
CID 104932333

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfonylpyrimidin-5-yl)hexan-2-amine?
The IUPAC name of 1-(2-methylsulfonylpyrimidin-5-yl)hexan-2-amine (CID 175811986) is 1-(2-methylsulfonylpyrimidin-5-yl)hexan-2-amine.
What is the SMILES notation for 1-(2-methylsulfonylpyrimidin-5-yl)hexan-2-amine?
The canonical SMILES for 1-(2-methylsulfonylpyrimidin-5-yl)hexan-2-amine is CCCCC(N)Cc1cnc(S(C)(=O)=O)nc1.
What is the InChIKey of 1-(2-methylsulfonylpyrimidin-5-yl)hexan-2-amine?
The InChIKey is WXZLFXPBFOOGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-3-4-5-10(12)6-9-7-13-11(14-8-9)17(2,15)16/h7-8,10H,3-6,12H2,1-2H3.
What are the key properties of 1-(2-methylsulfonylpyrimidin-5-yl)hexan-2-amine?
1-(2-methylsulfonylpyrimidin-5-yl)hexan-2-amine has a molecular weight of 257.36 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfonylpyrimidin-5-yl)hexan-2-amine is sourced from PubChem (CID 175811986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).