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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Related Compounds

1-(3,4-diethoxyphenyl)-N-methyl-2-methylsulfonylpropan-1-amine
CID 104518492
1-(2-bromo-4,5-dimethoxyphenyl)-N-methyl-2-methylsulfonylpropan-1-amine
CID 104518513
N-methyl-1-[4-(2-methylpropyl)phenyl]-2-methylsulfonylpropan-1-amine
CID 104518445
N-methyl-2-methylsulfonyl-1-(3-propan-2-yloxyphenyl)propan-1-amine
CID 105019058
N-methyl-2-methylsulfonyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine
CID 104518447
2-methoxy-5-(1-methylsulfanylethyl)pyrimidine
CID 148642376
1-[4-(2-methoxypyrimidin-5-yl)phenyl]-N-methylethanamine
CID 112747602
1-(4-methoxyphenyl)-N-methyl-2-propan-2-ylsulfonylpropan-1-amine
CID 64674623
1-(5-bromo-2-methoxy-4-methylphenyl)-N-methyl-2-methylsulfonylpropan-1-amine
CID 104518936
[1-(3,5-dimethoxyphenyl)-2-methylsulfonylpropyl]hydrazine
CID 105323905
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-2-methylsulfonylpropan-1-amine
CID 105043039
N-methyl-2-methylsulfonyl-1-(2,4,6-trifluorophenyl)propan-1-amine
CID 104518481

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).