N,2,6-trimethyl-N-[(2S)-4-methylsulfanylbutan-2-yl]pyrimidin-4-amine

C12H21N3S — CID 97325462

IUPACN,2,6-trimethyl-N-[(2S)-4-methylsulfanylbutan-2-yl]pyrimidin-4-amine
SMILESCSCC[C@H](C)N(C)c1cc(C)nc(C)n1
InChIInChI=1S/C12H21N3S/c1-9-8-12(14-11(3)13-9)15(4)10(2)6-7-16-5/h8,10H,6-7H2,1-5H3/t10-/m0/s1
InChIKeyWGHZQPLHPXWLSX-JTQLQIEISA-N
MW239.39 g/mol
LogP2.67
Rot. Bonds5

About N,2,6-trimethyl-N-[(2S)-4-methylsulfanylbutan-2-yl]pyrimidin-4-amine

N,2,6-trimethyl-N-[(2S)-4-methylsulfanylbutan-2-yl]pyrimidin-4-amine (PubChem CID 97325462) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is N,2,6-trimethyl-N-[(2S)-4-methylsulfanylbutan-2-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,2,6-trimethyl-N-[(2S)-4-methylsulfanylbutan-2-yl]pyrimidin-4-amine
PubChem CID97325462
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC NameN,2,6-trimethyl-N-[(2S)-4-methylsulfanylbutan-2-yl]pyrimidin-4-amine
SMILESCSCC[C@H](C)N(C)c1cc(C)nc(C)n1
InChIInChI=1S/C12H21N3S/c1-9-8-12(14-11(3)13-9)15(4)10(2)6-7-16-5/h8,10H,6-7H2,1-5H3/t10-/m0/s1
InChIKeyWGHZQPLHPXWLSX-JTQLQIEISA-N
XLogP2.67
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-N,6-dimethyl-4-N-(4-methylsulfanylbutan-2-yl)pyrimidine-2,4-diamine
CID 115744810
N'-hydroxy-2-methyl-6-[methyl(4-methylsulfanylbutan-2-yl)amino]pyridine-4-carboximidamide
CID 137013656
N-(1-cyclopropylethyl)-N,2,6-trimethylpyrimidin-4-amine
CID 42949489
6-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106768420
3-[(2,6-dimethylpyrimidin-4-yl)-methylamino]-N'-hydroxybutanimidamide
CID 55175699
N,2-dimethyl-N-(4-methylsulfanylbutan-2-yl)pyridin-4-amine
CID 133492168
[5-[methyl(4-methylsulfanylbutan-2-yl)amino]pyrazin-2-yl]methanol
CID 107372975
N,5-dimethyl-N-(4-methylsulfanylbutan-2-yl)pyrimidin-2-amine
CID 133403717
N-methyl-5-(methylaminomethyl)-N-(4-methylsulfanylbutan-2-yl)pyrazin-2-amine
CID 107380932
4-N,6-N,2-trimethyl-4-N-pentan-2-ylpyrimidine-4,6-diamine
CID 80793867
N-methyl-N-(4-methylsulfanylbutan-2-yl)-5-(propylaminomethyl)pyrazin-2-amine
CID 107380930
5-(bromomethyl)-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridin-2-amine
CID 107085305

Frequently Asked Questions

What is the IUPAC name of N,2,6-trimethyl-N-[(2S)-4-methylsulfanylbutan-2-yl]pyrimidin-4-amine?
The IUPAC name of N,2,6-trimethyl-N-[(2S)-4-methylsulfanylbutan-2-yl]pyrimidin-4-amine (CID 97325462) is N,2,6-trimethyl-N-[(2S)-4-methylsulfanylbutan-2-yl]pyrimidin-4-amine.
What is the SMILES notation for N,2,6-trimethyl-N-[(2S)-4-methylsulfanylbutan-2-yl]pyrimidin-4-amine?
The canonical SMILES for N,2,6-trimethyl-N-[(2S)-4-methylsulfanylbutan-2-yl]pyrimidin-4-amine is CSCC[C@H](C)N(C)c1cc(C)nc(C)n1.
What is the InChIKey of N,2,6-trimethyl-N-[(2S)-4-methylsulfanylbutan-2-yl]pyrimidin-4-amine?
The InChIKey is WGHZQPLHPXWLSX-JTQLQIEISA-N. The full InChI is InChI=1S/C12H21N3S/c1-9-8-12(14-11(3)13-9)15(4)10(2)6-7-16-5/h8,10H,6-7H2,1-5H3/t10-/m0/s1.
What are the key properties of N,2,6-trimethyl-N-[(2S)-4-methylsulfanylbutan-2-yl]pyrimidin-4-amine?
N,2,6-trimethyl-N-[(2S)-4-methylsulfanylbutan-2-yl]pyrimidin-4-amine has a molecular weight of 239.39 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,6-trimethyl-N-[(2S)-4-methylsulfanylbutan-2-yl]pyrimidin-4-amine is sourced from PubChem (CID 97325462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).