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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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).