1-(2-methoxypyrimidin-5-yl)-N-methyl-2-methylsulfonylpropan-1-amine

C10H17N3O3S — CID 112747697

IUPAC1-(2-methoxypyrimidin-5-yl)-N-methyl-2-methylsulfonylpropan-1-amine
SMILESCNC(c1cnc(OC)nc1)C(C)S(C)(=O)=O
InChIInChI=1S/C10H17N3O3S/c1-7(17(4,14)15)9(11-2)8-5-12-10(16-3)13-6-8/h5-7,9,11H,1-4H3
InChIKeyHKVCCSZRSYYUKL-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.18
Rot. Bonds5

About 1-(2-methoxypyrimidin-5-yl)-N-methyl-2-methylsulfonylpropan-1-amine

1-(2-methoxypyrimidin-5-yl)-N-methyl-2-methylsulfonylpropan-1-amine (PubChem CID 112747697) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is 1-(2-methoxypyrimidin-5-yl)-N-methyl-2-methylsulfonylpropan-1-amine.

Molecular Properties

Compound Name1-(2-methoxypyrimidin-5-yl)-N-methyl-2-methylsulfonylpropan-1-amine
PubChem CID112747697
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Name1-(2-methoxypyrimidin-5-yl)-N-methyl-2-methylsulfonylpropan-1-amine
SMILESCNC(c1cnc(OC)nc1)C(C)S(C)(=O)=O
InChIInChI=1S/C10H17N3O3S/c1-7(17(4,14)15)9(11-2)8-5-12-10(16-3)13-6-8/h5-7,9,11H,1-4H3
InChIKeyHKVCCSZRSYYUKL-UHFFFAOYSA-N
XLogP0.18
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxypyrimidin-5-yl)-N-methyl-2-methylsulfonylpropan-1-amine?
The IUPAC name of 1-(2-methoxypyrimidin-5-yl)-N-methyl-2-methylsulfonylpropan-1-amine (CID 112747697) is 1-(2-methoxypyrimidin-5-yl)-N-methyl-2-methylsulfonylpropan-1-amine.
What is the SMILES notation for 1-(2-methoxypyrimidin-5-yl)-N-methyl-2-methylsulfonylpropan-1-amine?
The canonical SMILES for 1-(2-methoxypyrimidin-5-yl)-N-methyl-2-methylsulfonylpropan-1-amine is CNC(c1cnc(OC)nc1)C(C)S(C)(=O)=O.
What is the InChIKey of 1-(2-methoxypyrimidin-5-yl)-N-methyl-2-methylsulfonylpropan-1-amine?
The InChIKey is HKVCCSZRSYYUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-7(17(4,14)15)9(11-2)8-5-12-10(16-3)13-6-8/h5-7,9,11H,1-4H3.
What are the key properties of 1-(2-methoxypyrimidin-5-yl)-N-methyl-2-methylsulfonylpropan-1-amine?
1-(2-methoxypyrimidin-5-yl)-N-methyl-2-methylsulfonylpropan-1-amine has a molecular weight of 259.33 g/mol, XLogP of 0.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxypyrimidin-5-yl)-N-methyl-2-methylsulfonylpropan-1-amine is sourced from PubChem (CID 112747697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).