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

C13H23N3O2S — CID 79563522

IUPAC6-methyl-N-(2-methyl-2-methylsulfonylpropyl)-2-propan-2-ylpyrimidin-4-amine
SMILESCc1cc(NCC(C)(C)S(C)(=O)=O)nc(C(C)C)n1
InChIInChI=1S/C13H23N3O2S/c1-9(2)12-15-10(3)7-11(16-12)14-8-13(4,5)19(6,17)18/h7,9H,8H2,1-6H3,(H,14,15,16)
InChIKeyYTSXSELZSCONJN-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.14
Rot. Bonds5

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

6-methyl-N-(2-methyl-2-methylsulfonylpropyl)-2-propan-2-ylpyrimidin-4-amine (PubChem CID 79563522) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 6-methyl-N-(2-methyl-2-methylsulfonylpropyl)-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-(2-methyl-2-methylsulfonylpropyl)-2-propan-2-ylpyrimidin-4-amine
PubChem CID79563522
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name6-methyl-N-(2-methyl-2-methylsulfonylpropyl)-2-propan-2-ylpyrimidin-4-amine
SMILESCc1cc(NCC(C)(C)S(C)(=O)=O)nc(C(C)C)n1
InChIInChI=1S/C13H23N3O2S/c1-9(2)12-15-10(3)7-11(16-12)14-8-13(4,5)19(6,17)18/h7,9H,8H2,1-6H3,(H,14,15,16)
InChIKeyYTSXSELZSCONJN-UHFFFAOYSA-N
XLogP2.14
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N,2-N,2-trimethyl-1-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)propane-1,2-diamine
CID 54941206
2-methyl-1-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol
CID 63962761
N-(2-ethylsulfonylethyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine
CID 113257391
N-(3,3-dimethylbutyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine
CID 113222606
6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-propan-2-ylpyrimidin-4-amine
CID 53499530
6-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 43395265
6-hydrazinyl-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-4-amine
CID 80928670
N',N'-dimethyl-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 43395227
6-methyl-2-propan-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
CID 79362563
1-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)butane-1,2-diamine
CID 63732652
2-hydroxy-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanamide
CID 114153504
5-methyl-N-[2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide
CID 133395402

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(2-methyl-2-methylsulfonylpropyl)-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-methyl-N-(2-methyl-2-methylsulfonylpropyl)-2-propan-2-ylpyrimidin-4-amine (CID 79563522) is 6-methyl-N-(2-methyl-2-methylsulfonylpropyl)-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-(2-methyl-2-methylsulfonylpropyl)-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-(2-methyl-2-methylsulfonylpropyl)-2-propan-2-ylpyrimidin-4-amine is Cc1cc(NCC(C)(C)S(C)(=O)=O)nc(C(C)C)n1.
What is the InChIKey of 6-methyl-N-(2-methyl-2-methylsulfonylpropyl)-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is YTSXSELZSCONJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-9(2)12-15-10(3)7-11(16-12)14-8-13(4,5)19(6,17)18/h7,9H,8H2,1-6H3,(H,14,15,16).
What are the key properties of 6-methyl-N-(2-methyl-2-methylsulfonylpropyl)-2-propan-2-ylpyrimidin-4-amine?
6-methyl-N-(2-methyl-2-methylsulfonylpropyl)-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 285.41 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(2-methyl-2-methylsulfonylpropyl)-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 79563522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).