2-tert-butyl-N,5-dimethyl-6-thiomorpholin-4-ylpyrimidin-4-amine

C14H24N4S — CID 80981364

IUPAC2-tert-butyl-N,5-dimethyl-6-thiomorpholin-4-ylpyrimidin-4-amine
SMILESCNc1nc(C(C)(C)C)nc(N2CCSCC2)c1C
InChIInChI=1S/C14H24N4S/c1-10-11(15-5)16-13(14(2,3)4)17-12(10)18-6-8-19-9-7-18/h6-9H2,1-5H3,(H,15,16,17)
InChIKeyYYSKHCPKPIIGFT-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.68
Rot. Bonds2

About 2-tert-butyl-N,5-dimethyl-6-thiomorpholin-4-ylpyrimidin-4-amine

2-tert-butyl-N,5-dimethyl-6-thiomorpholin-4-ylpyrimidin-4-amine (PubChem CID 80981364) has the molecular formula C14H24N4S and a molecular weight of 280.44 g/mol. Its IUPAC name is 2-tert-butyl-N,5-dimethyl-6-thiomorpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N,5-dimethyl-6-thiomorpholin-4-ylpyrimidin-4-amine
PubChem CID80981364
Molecular FormulaC14H24N4S
Molecular Weight280.44 g/mol
Exact Mass280.17
IUPAC Name2-tert-butyl-N,5-dimethyl-6-thiomorpholin-4-ylpyrimidin-4-amine
SMILESCNc1nc(C(C)(C)C)nc(N2CCSCC2)c1C
InChIInChI=1S/C14H24N4S/c1-10-11(15-5)16-13(14(2,3)4)17-12(10)18-6-8-19-9-7-18/h6-9H2,1-5H3,(H,15,16,17)
InChIKeyYYSKHCPKPIIGFT-UHFFFAOYSA-N
XLogP2.68
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-tert-butyl-N,5-dimethyl-6-thiomorpholin-4-ylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-tert-butyl-6-(4,4-dimethylpiperidin-1-yl)-N,5-dimethylpyrimidin-4-amine
CID 80983639
2-tert-butyl-N,5-dimethyl-6-piperazin-1-ylpyrimidin-4-amine
CID 80984497
(2-tert-butyl-5-methyl-6-piperidin-1-ylpyrimidin-4-yl)hydrazine
CID 81006695
2-tert-butyl-N,5-dimethyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine
CID 80993569
6-(4-tert-butylpiperazin-1-yl)-N,2,5-trimethylpyrimidin-4-amine
CID 80795535
N,5-dimethyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-amine
CID 80795778
[2-tert-butyl-6-(4-ethylpiperidin-1-yl)-5-methylpyrimidin-4-yl]hydrazine
CID 80995529
6-(azetidin-1-yl)-N,2,5-trimethylpyrimidin-4-amine;ethane
CID 91242494
2-tert-butyl-6-N,5-dimethyl-4-N-(2-methylcyclohexyl)pyrimidine-4,6-diamine
CID 80981493
2-tert-butyl-N-ethyl-5-methyl-6-(3-methylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80986307
[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-tert-butyl-5-methylpyrimidin-4-yl]hydrazine
CID 115563125
1-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol
CID 81107819

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N,5-dimethyl-6-thiomorpholin-4-ylpyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-N,5-dimethyl-6-thiomorpholin-4-ylpyrimidin-4-amine (CID 80981364) is 2-tert-butyl-N,5-dimethyl-6-thiomorpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-N,5-dimethyl-6-thiomorpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-N,5-dimethyl-6-thiomorpholin-4-ylpyrimidin-4-amine is CNc1nc(C(C)(C)C)nc(N2CCSCC2)c1C.
What is the InChIKey of 2-tert-butyl-N,5-dimethyl-6-thiomorpholin-4-ylpyrimidin-4-amine?
The InChIKey is YYSKHCPKPIIGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4S/c1-10-11(15-5)16-13(14(2,3)4)17-12(10)18-6-8-19-9-7-18/h6-9H2,1-5H3,(H,15,16,17).
What are the key properties of 2-tert-butyl-N,5-dimethyl-6-thiomorpholin-4-ylpyrimidin-4-amine?
2-tert-butyl-N,5-dimethyl-6-thiomorpholin-4-ylpyrimidin-4-amine has a molecular weight of 280.44 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N,5-dimethyl-6-thiomorpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 80981364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).