N-(2-ethylsulfonylethyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine

C12H21N3O2S — CID 113257391

IUPACN-(2-ethylsulfonylethyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCCS(=O)(=O)CCNc1cc(C)nc(C(C)C)n1
InChIInChI=1S/C12H21N3O2S/c1-5-18(16,17)7-6-13-11-8-10(4)14-12(15-11)9(2)3/h8-9H,5-7H2,1-4H3,(H,13,14,15)
InChIKeyUVQGRTMJZIENCY-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.76
Rot. Bonds6

About N-(2-ethylsulfonylethyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine

N-(2-ethylsulfonylethyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 113257391) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is N-(2-ethylsulfonylethyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-ethylsulfonylethyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID113257391
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC NameN-(2-ethylsulfonylethyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCCS(=O)(=O)CCNc1cc(C)nc(C(C)C)n1
InChIInChI=1S/C12H21N3O2S/c1-5-18(16,17)7-6-13-11-8-10(4)14-12(15-11)9(2)3/h8-9H,5-7H2,1-4H3,(H,13,14,15)
InChIKeyUVQGRTMJZIENCY-UHFFFAOYSA-N
XLogP1.76
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 43395265
N-(3,3-dimethylbutyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine
CID 113222606
N',N'-dimethyl-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 43395227
6-methyl-N-(2-methyl-2-methylsulfonylpropyl)-2-propan-2-ylpyrimidin-4-amine
CID 79563522
5-methyl-N-[2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide
CID 133395402
N-(2-methoxyethyl)-N'-(6-methyl-2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 83030494
N-[2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]ethyl]methanesulfonamide
CID 80967250
6-methyl-N-(4-methylsulfanylbutyl)-2-propan-2-ylpyrimidin-4-amine
CID 115637362
1-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)butane-1,2-diamine
CID 63732652
N-[2-(2-aminoethoxy)ethyl]-6-methyl-2-propan-2-ylpyrimidin-4-amine
CID 63767232
6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-propan-2-ylpyrimidin-4-amine
CID 53499530
2-methyl-1-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol
CID 63962761

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfonylethyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-(2-ethylsulfonylethyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine (CID 113257391) is N-(2-ethylsulfonylethyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-(2-ethylsulfonylethyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-(2-ethylsulfonylethyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine is CCS(=O)(=O)CCNc1cc(C)nc(C(C)C)n1.
What is the InChIKey of N-(2-ethylsulfonylethyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is UVQGRTMJZIENCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-5-18(16,17)7-6-13-11-8-10(4)14-12(15-11)9(2)3/h8-9H,5-7H2,1-4H3,(H,13,14,15).
What are the key properties of N-(2-ethylsulfonylethyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine?
N-(2-ethylsulfonylethyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 271.39 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfonylethyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 113257391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).