1-(2-methylpyrimidin-4-yl)-4-methylsulfonylbutan-1-amine

C10H17N3O2S — CID 115530121

IUPAC1-(2-methylpyrimidin-4-yl)-4-methylsulfonylbutan-1-amine
SMILESCc1nccc(C(N)CCCS(C)(=O)=O)n1
InChIInChI=1S/C10H17N3O2S/c1-8-12-6-5-10(13-8)9(11)4-3-7-16(2,14)15/h5-6,9H,3-4,7,11H2,1-2H3
InChIKeyFWNWNQUREWFUIU-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.61
Rot. Bonds5

About 1-(2-methylpyrimidin-4-yl)-4-methylsulfonylbutan-1-amine

1-(2-methylpyrimidin-4-yl)-4-methylsulfonylbutan-1-amine (PubChem CID 115530121) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 1-(2-methylpyrimidin-4-yl)-4-methylsulfonylbutan-1-amine.

Molecular Properties

Compound Name1-(2-methylpyrimidin-4-yl)-4-methylsulfonylbutan-1-amine
PubChem CID115530121
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name1-(2-methylpyrimidin-4-yl)-4-methylsulfonylbutan-1-amine
SMILESCc1nccc(C(N)CCCS(C)(=O)=O)n1
InChIInChI=1S/C10H17N3O2S/c1-8-12-6-5-10(13-8)9(11)4-3-7-16(2,14)15/h5-6,9H,3-4,7,11H2,1-2H3
InChIKeyFWNWNQUREWFUIU-UHFFFAOYSA-N
XLogP0.61
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-(2-methylpyrimidin-4-yl)-4-methylsulfonylbutan-1-amine
CID 113329542
1-(2-methylpyrimidin-4-yl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 115530977
4-methylsulfonyl-1-pyrazin-2-ylbutan-1-amine
CID 63192450
4-methylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)butan-1-amine
CID 105113294
N-ethyl-1-(2-methylpyrimidin-4-yl)-3-methylsulfonylpropan-1-amine
CID 115530771
1-(3-methyl-2-pyridinyl)-4-methylsulfonylbutan-1-amine
CID 63192413
4-methylsulfonyl-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-amine
CID 105113529
4-methylsulfonyl-1-naphthalen-1-ylbutan-1-amine
CID 63192592
3-amino-3-(2-methylpyrimidin-4-yl)propanamide
CID 115527138
(1S)-3,3,3-trifluoro-1-(2-methylpyrimidin-4-yl)propan-1-amine
CID 104941101
(1R)-3,3,3-trifluoro-1-(2-methylpyrimidin-4-yl)propan-1-amine
CID 104941079
1-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-3-methylsulfonylpropan-1-amine
CID 115529105

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrimidin-4-yl)-4-methylsulfonylbutan-1-amine?
The IUPAC name of 1-(2-methylpyrimidin-4-yl)-4-methylsulfonylbutan-1-amine (CID 115530121) is 1-(2-methylpyrimidin-4-yl)-4-methylsulfonylbutan-1-amine.
What is the SMILES notation for 1-(2-methylpyrimidin-4-yl)-4-methylsulfonylbutan-1-amine?
The canonical SMILES for 1-(2-methylpyrimidin-4-yl)-4-methylsulfonylbutan-1-amine is Cc1nccc(C(N)CCCS(C)(=O)=O)n1.
What is the InChIKey of 1-(2-methylpyrimidin-4-yl)-4-methylsulfonylbutan-1-amine?
The InChIKey is FWNWNQUREWFUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-8-12-6-5-10(13-8)9(11)4-3-7-16(2,14)15/h5-6,9H,3-4,7,11H2,1-2H3.
What are the key properties of 1-(2-methylpyrimidin-4-yl)-4-methylsulfonylbutan-1-amine?
1-(2-methylpyrimidin-4-yl)-4-methylsulfonylbutan-1-amine has a molecular weight of 243.33 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrimidin-4-yl)-4-methylsulfonylbutan-1-amine is sourced from PubChem (CID 115530121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).