2-tert-butyl-6-N-methyl-4-N-(2-methylsulfinylethyl)pyrimidine-4,6-diamine

C12H22N4OS — CID 113480692

IUPAC2-tert-butyl-6-N-methyl-4-N-(2-methylsulfinylethyl)pyrimidine-4,6-diamine
SMILESCNc1cc(NCCS(C)=O)nc(C(C)(C)C)n1
InChIInChI=1S/C12H22N4OS/c1-12(2,3)11-15-9(13-4)8-10(16-11)14-6-7-18(5)17/h8H,6-7H2,1-5H3,(H2,13,14,15,16)
InChIKeyOTQWFMYLFNCLNW-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.61
Rot. Bonds5

About 2-tert-butyl-6-N-methyl-4-N-(2-methylsulfinylethyl)pyrimidine-4,6-diamine

2-tert-butyl-6-N-methyl-4-N-(2-methylsulfinylethyl)pyrimidine-4,6-diamine (PubChem CID 113480692) has the molecular formula C12H22N4OS and a molecular weight of 270.40 g/mol. Its IUPAC name is 2-tert-butyl-6-N-methyl-4-N-(2-methylsulfinylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-6-N-methyl-4-N-(2-methylsulfinylethyl)pyrimidine-4,6-diamine
PubChem CID113480692
Molecular FormulaC12H22N4OS
Molecular Weight270.40 g/mol
Exact Mass270.15
IUPAC Name2-tert-butyl-6-N-methyl-4-N-(2-methylsulfinylethyl)pyrimidine-4,6-diamine
SMILESCNc1cc(NCCS(C)=O)nc(C(C)(C)C)n1
InChIInChI=1S/C12H22N4OS/c1-12(2,3)11-15-9(13-4)8-10(16-11)14-6-7-18(5)17/h8H,6-7H2,1-5H3,(H2,13,14,15,16)
InChIKeyOTQWFMYLFNCLNW-UHFFFAOYSA-N
XLogP1.61
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-ethyl-4-N-(2-methylsulfinylethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106773050
N-[2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]ethyl]acetamide
CID 80967857
2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide
CID 106343155
2-tert-butyl-6-N-methyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine
CID 80957241
2-tert-butyl-4-N-(2-ethoxyethyl)-6-N-methylpyrimidine-4,6-diamine
CID 80966986
3-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-N,N-dimethylpropanamide
CID 80957506
5-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]pentanamide
CID 106241594
3-[2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]ethyl]-1,1-dimethylurea
CID 83118642
2-tert-butyl-4-N-[3-(diethylamino)propyl]-6-N-methylpyrimidine-4,6-diamine
CID 80956860
1-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80967240
2-tert-butyl-4-N-[2-(furan-2-yl)ethyl]-6-N-methylpyrimidine-4,6-diamine
CID 80960709
2-tert-butyl-6-N-methyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-4,6-diamine
CID 106042309

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-N-methyl-4-N-(2-methylsulfinylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-6-N-methyl-4-N-(2-methylsulfinylethyl)pyrimidine-4,6-diamine (CID 113480692) is 2-tert-butyl-6-N-methyl-4-N-(2-methylsulfinylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-6-N-methyl-4-N-(2-methylsulfinylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-6-N-methyl-4-N-(2-methylsulfinylethyl)pyrimidine-4,6-diamine is CNc1cc(NCCS(C)=O)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-6-N-methyl-4-N-(2-methylsulfinylethyl)pyrimidine-4,6-diamine?
The InChIKey is OTQWFMYLFNCLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4OS/c1-12(2,3)11-15-9(13-4)8-10(16-11)14-6-7-18(5)17/h8H,6-7H2,1-5H3,(H2,13,14,15,16).
What are the key properties of 2-tert-butyl-6-N-methyl-4-N-(2-methylsulfinylethyl)pyrimidine-4,6-diamine?
2-tert-butyl-6-N-methyl-4-N-(2-methylsulfinylethyl)pyrimidine-4,6-diamine has a molecular weight of 270.40 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-N-methyl-4-N-(2-methylsulfinylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 113480692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).