N-[[2-(tert-butylsulfanylmethyl)-6-methylpyrimidin-4-yl]methyl]-2-methoxyethanamine

C14H25N3OS — CID 65138090

IUPACN-[[2-(tert-butylsulfanylmethyl)-6-methylpyrimidin-4-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cc(C)nc(CSC(C)(C)C)n1
InChIInChI=1S/C14H25N3OS/c1-11-8-12(9-15-6-7-18-5)17-13(16-11)10-19-14(2,3)4/h8,15H,6-7,9-10H2,1-5H3
InChIKeyZLKPTNLGLDEITH-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.55
Rot. Bonds7

About N-[[2-(tert-butylsulfanylmethyl)-6-methylpyrimidin-4-yl]methyl]-2-methoxyethanamine

N-[[2-(tert-butylsulfanylmethyl)-6-methylpyrimidin-4-yl]methyl]-2-methoxyethanamine (PubChem CID 65138090) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is N-[[2-(tert-butylsulfanylmethyl)-6-methylpyrimidin-4-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[2-(tert-butylsulfanylmethyl)-6-methylpyrimidin-4-yl]methyl]-2-methoxyethanamine
PubChem CID65138090
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC NameN-[[2-(tert-butylsulfanylmethyl)-6-methylpyrimidin-4-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cc(C)nc(CSC(C)(C)C)n1
InChIInChI=1S/C14H25N3OS/c1-11-8-12(9-15-6-7-18-5)17-13(16-11)10-19-14(2,3)4/h8,15H,6-7,9-10H2,1-5H3
InChIKeyZLKPTNLGLDEITH-UHFFFAOYSA-N
XLogP2.55
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)methyl]ethanamine
CID 62745007
N-[[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]methyl]-2-methoxyethanamine
CID 62746066
2-methoxy-N-[[2-(1-methoxybutyl)-6-methylpyrimidin-4-yl]methyl]ethanamine
CID 116731205
2-methoxy-N-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)methyl]ethanamine
CID 62744312
4-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-6-methylpyrimidin-2-amine
CID 114221034
N-[[2-(tert-butylsulfanylmethyl)-1H-imidazol-5-yl]methyl]-2-methoxyethanamine
CID 65137664
N-[[2-(butan-2-ylsulfanylmethyl)-6-methylpyrimidin-4-yl]methyl]propan-1-amine
CID 65141247
2-methoxy-N-[[6-methyl-2-(3-methylcyclohexyl)pyrimidin-4-yl]methyl]ethanamine
CID 62745005
N-(2-methoxyethyl)-N'-(6-methyl-2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 83030494
2-methoxy-N-[[6-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methyl]ethanamine
CID 65334028
3-tert-butylsulfanyl-N-(2-methoxyethyl)propan-1-amine
CID 62576720
2-methoxy-N-[(2,6,8-trimethylquinolin-4-yl)methyl]ethanamine
CID 82448512

Frequently Asked Questions

What is the IUPAC name of N-[[2-(tert-butylsulfanylmethyl)-6-methylpyrimidin-4-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[2-(tert-butylsulfanylmethyl)-6-methylpyrimidin-4-yl]methyl]-2-methoxyethanamine (CID 65138090) is N-[[2-(tert-butylsulfanylmethyl)-6-methylpyrimidin-4-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[2-(tert-butylsulfanylmethyl)-6-methylpyrimidin-4-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[2-(tert-butylsulfanylmethyl)-6-methylpyrimidin-4-yl]methyl]-2-methoxyethanamine is COCCNCc1cc(C)nc(CSC(C)(C)C)n1.
What is the InChIKey of N-[[2-(tert-butylsulfanylmethyl)-6-methylpyrimidin-4-yl]methyl]-2-methoxyethanamine?
The InChIKey is ZLKPTNLGLDEITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-11-8-12(9-15-6-7-18-5)17-13(16-11)10-19-14(2,3)4/h8,15H,6-7,9-10H2,1-5H3.
What are the key properties of N-[[2-(tert-butylsulfanylmethyl)-6-methylpyrimidin-4-yl]methyl]-2-methoxyethanamine?
N-[[2-(tert-butylsulfanylmethyl)-6-methylpyrimidin-4-yl]methyl]-2-methoxyethanamine has a molecular weight of 283.44 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(tert-butylsulfanylmethyl)-6-methylpyrimidin-4-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 65138090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).