2-methylsulfanyl-6-(2,2,6-trimethylmorpholin-4-yl)pyrimidin-4-amine

C12H20N4OS — CID 80816748

IUPAC2-methylsulfanyl-6-(2,2,6-trimethylmorpholin-4-yl)pyrimidin-4-amine
SMILESCSc1nc(N)cc(N2CC(C)OC(C)(C)C2)n1
InChIInChI=1S/C12H20N4OS/c1-8-6-16(7-12(2,3)17-8)10-5-9(13)14-11(15-10)18-4/h5,8H,6-7H2,1-4H3,(H2,13,14,15)
InChIKeyMAMLXNMQKYOZFG-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.78
Rot. Bonds2

About 2-methylsulfanyl-6-(2,2,6-trimethylmorpholin-4-yl)pyrimidin-4-amine

2-methylsulfanyl-6-(2,2,6-trimethylmorpholin-4-yl)pyrimidin-4-amine (PubChem CID 80816748) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 2-methylsulfanyl-6-(2,2,6-trimethylmorpholin-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-methylsulfanyl-6-(2,2,6-trimethylmorpholin-4-yl)pyrimidin-4-amine
PubChem CID80816748
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name2-methylsulfanyl-6-(2,2,6-trimethylmorpholin-4-yl)pyrimidin-4-amine
SMILESCSc1nc(N)cc(N2CC(C)OC(C)(C)C2)n1
InChIInChI=1S/C12H20N4OS/c1-8-6-16(7-12(2,3)17-8)10-5-9(13)14-11(15-10)18-4/h5,8H,6-7H2,1-4H3,(H2,13,14,15)
InChIKeyMAMLXNMQKYOZFG-UHFFFAOYSA-N
XLogP1.78
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(trifluoromethyl)-6-(2,2,6-trimethylmorpholin-4-yl)pyrimidin-4-amine
CID 106771626
6-(3-methylpyrrolidin-1-yl)-2-methylsulfanylpyrimidin-4-amine
CID 80798063
4-N-ethyl-6-(2,2,6-trimethylmorpholin-4-yl)pyrimidine-2,4-diamine
CID 80816046
6-methyl-2-(2,2,6-trimethylmorpholin-4-yl)pyridin-3-amine
CID 81132923
6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylsulfanylpyrimidin-4-amine
CID 81469287
4-(6-chloro-2-pyridinyl)-2,2,6-trimethylmorpholine
CID 63588228
[6-(2,2,6-trimethylmorpholin-4-yl)pyrazin-2-yl]methanamine
CID 66451628
[6-(2,2,6-trimethylmorpholin-4-yl)-2-pyridinyl]methanamine
CID 62284830
4-(6-chloro-2-propylpyrimidin-4-yl)-2,2,6-trimethylmorpholine
CID 80939007
2-methylsulfanyl-6-piperazin-1-ylpyrimidin-4-amine
CID 77231452
5-chloro-4-fluoro-2-(2,2,6-trimethylmorpholin-4-yl)aniline
CID 66077635
5-fluoro-4-methoxy-2-(2,2,6-trimethylmorpholin-4-yl)aniline
CID 55216847

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-6-(2,2,6-trimethylmorpholin-4-yl)pyrimidin-4-amine?
The IUPAC name of 2-methylsulfanyl-6-(2,2,6-trimethylmorpholin-4-yl)pyrimidin-4-amine (CID 80816748) is 2-methylsulfanyl-6-(2,2,6-trimethylmorpholin-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-methylsulfanyl-6-(2,2,6-trimethylmorpholin-4-yl)pyrimidin-4-amine?
The canonical SMILES for 2-methylsulfanyl-6-(2,2,6-trimethylmorpholin-4-yl)pyrimidin-4-amine is CSc1nc(N)cc(N2CC(C)OC(C)(C)C2)n1.
What is the InChIKey of 2-methylsulfanyl-6-(2,2,6-trimethylmorpholin-4-yl)pyrimidin-4-amine?
The InChIKey is MAMLXNMQKYOZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-8-6-16(7-12(2,3)17-8)10-5-9(13)14-11(15-10)18-4/h5,8H,6-7H2,1-4H3,(H2,13,14,15).
What are the key properties of 2-methylsulfanyl-6-(2,2,6-trimethylmorpholin-4-yl)pyrimidin-4-amine?
2-methylsulfanyl-6-(2,2,6-trimethylmorpholin-4-yl)pyrimidin-4-amine has a molecular weight of 268.39 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-6-(2,2,6-trimethylmorpholin-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 80816748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).