N,6-dimethyl-N-(1-methylsulfonylpropan-2-yl)-2-propan-2-ylpyrimidin-4-amine

C13H23N3O2S — CID 133322481

IUPACN,6-dimethyl-N-(1-methylsulfonylpropan-2-yl)-2-propan-2-ylpyrimidin-4-amine
SMILESCc1cc(N(C)C(C)CS(C)(=O)=O)nc(C(C)C)n1
InChIInChI=1S/C13H23N3O2S/c1-9(2)13-14-10(3)7-12(15-13)16(5)11(4)8-19(6,17)18/h7,9,11H,8H2,1-6H3
InChIKeyUNHARGMLJSKMOA-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.78
Rot. Bonds5

About N,6-dimethyl-N-(1-methylsulfonylpropan-2-yl)-2-propan-2-ylpyrimidin-4-amine

N,6-dimethyl-N-(1-methylsulfonylpropan-2-yl)-2-propan-2-ylpyrimidin-4-amine (PubChem CID 133322481) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is N,6-dimethyl-N-(1-methylsulfonylpropan-2-yl)-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN,6-dimethyl-N-(1-methylsulfonylpropan-2-yl)-2-propan-2-ylpyrimidin-4-amine
PubChem CID133322481
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC NameN,6-dimethyl-N-(1-methylsulfonylpropan-2-yl)-2-propan-2-ylpyrimidin-4-amine
SMILESCc1cc(N(C)C(C)CS(C)(=O)=O)nc(C(C)C)n1
InChIInChI=1S/C13H23N3O2S/c1-9(2)13-14-10(3)7-12(15-13)16(5)11(4)8-19(6,17)18/h7,9,11H,8H2,1-6H3
InChIKeyUNHARGMLJSKMOA-UHFFFAOYSA-N
XLogP1.78
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-N-(1-methylsulfonylpropan-2-yl)-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N,6-dimethyl-N-(1-methylsulfonylpropan-2-yl)-2-propan-2-ylpyrimidin-4-amine (CID 133322481) is N,6-dimethyl-N-(1-methylsulfonylpropan-2-yl)-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N,6-dimethyl-N-(1-methylsulfonylpropan-2-yl)-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N,6-dimethyl-N-(1-methylsulfonylpropan-2-yl)-2-propan-2-ylpyrimidin-4-amine is Cc1cc(N(C)C(C)CS(C)(=O)=O)nc(C(C)C)n1.
What is the InChIKey of N,6-dimethyl-N-(1-methylsulfonylpropan-2-yl)-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is UNHARGMLJSKMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-9(2)13-14-10(3)7-12(15-13)16(5)11(4)8-19(6,17)18/h7,9,11H,8H2,1-6H3.
What are the key properties of N,6-dimethyl-N-(1-methylsulfonylpropan-2-yl)-2-propan-2-ylpyrimidin-4-amine?
N,6-dimethyl-N-(1-methylsulfonylpropan-2-yl)-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 285.41 g/mol, XLogP of 1.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-N-(1-methylsulfonylpropan-2-yl)-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 133322481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).