2-methoxy-N-[[5-methyl-6-(4-methylpyrimidin-2-yl)sulfanyl-3-pyridinyl]methyl]ethanamine

C15H20N4OS — CID 80640543

IUPAC2-methoxy-N-[[5-methyl-6-(4-methylpyrimidin-2-yl)sulfanyl-3-pyridinyl]methyl]ethanamine
SMILESCOCCNCc1cnc(Sc2nccc(C)n2)c(C)c1
InChIInChI=1S/C15H20N4OS/c1-11-8-13(9-16-6-7-20-3)10-18-14(11)21-15-17-5-4-12(2)19-15/h4-5,8,10,16H,6-7,9H2,1-3H3
InChIKeyZOZZFLAXQZGWAZ-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.38
Rot. Bonds7

About 2-methoxy-N-[[5-methyl-6-(4-methylpyrimidin-2-yl)sulfanyl-3-pyridinyl]methyl]ethanamine

2-methoxy-N-[[5-methyl-6-(4-methylpyrimidin-2-yl)sulfanyl-3-pyridinyl]methyl]ethanamine (PubChem CID 80640543) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-methoxy-N-[[5-methyl-6-(4-methylpyrimidin-2-yl)sulfanyl-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[5-methyl-6-(4-methylpyrimidin-2-yl)sulfanyl-3-pyridinyl]methyl]ethanamine
PubChem CID80640543
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name2-methoxy-N-[[5-methyl-6-(4-methylpyrimidin-2-yl)sulfanyl-3-pyridinyl]methyl]ethanamine
SMILESCOCCNCc1cnc(Sc2nccc(C)n2)c(C)c1
InChIInChI=1S/C15H20N4OS/c1-11-8-13(9-16-6-7-20-3)10-18-14(11)21-15-17-5-4-12(2)19-15/h4-5,8,10,16H,6-7,9H2,1-3H3
InChIKeyZOZZFLAXQZGWAZ-UHFFFAOYSA-N
XLogP2.38
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[[5-methyl-6-(5-methylpyrimidin-2-yl)sulfanyl-3-pyridinyl]methyl]ethanamine
CID 80640181
[5-methyl-6-(4-methylpyrimidin-2-yl)sulfanyl-3-pyridinyl]methanamine
CID 80650640
N-[[3-chloro-4-(4-methylpyrimidin-2-yl)sulfanylphenyl]methyl]-2-methoxyethanamine
CID 81160485
N-[(6-benzylsulfanyl-5-methyl-3-pyridinyl)methyl]-2-methoxyethanamine
CID 80628187
2-methoxy-N-[[5-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-pyridinyl]methyl]ethanamine
CID 80640118
N-(2-methoxyethyl)-4-(4-methylpyrimidin-2-yl)sulfanylbutan-1-amine
CID 62581894
2-methoxy-N-[(5-methyl-6-pyridin-3-yloxy-3-pyridinyl)methyl]ethanamine
CID 80633302
1-(2-methoxyethylamino)-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-ol
CID 113317871
N-[[6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-pyridinyl]methyl]-2-methoxyethanamine
CID 102926136
N-[[5-methyl-6-(5-methylpyrimidin-2-yl)sulfanyl-3-pyridinyl]methyl]ethanamine
CID 80651506
N-[[5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-3-pyridinyl]methyl]ethanamine
CID 106926520
N-[[6-(2-methoxyphenyl)sulfanyl-5-methyl-3-pyridinyl]methyl]propan-1-amine
CID 80639530

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[5-methyl-6-(4-methylpyrimidin-2-yl)sulfanyl-3-pyridinyl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[5-methyl-6-(4-methylpyrimidin-2-yl)sulfanyl-3-pyridinyl]methyl]ethanamine (CID 80640543) is 2-methoxy-N-[[5-methyl-6-(4-methylpyrimidin-2-yl)sulfanyl-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[5-methyl-6-(4-methylpyrimidin-2-yl)sulfanyl-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[5-methyl-6-(4-methylpyrimidin-2-yl)sulfanyl-3-pyridinyl]methyl]ethanamine is COCCNCc1cnc(Sc2nccc(C)n2)c(C)c1.
What is the InChIKey of 2-methoxy-N-[[5-methyl-6-(4-methylpyrimidin-2-yl)sulfanyl-3-pyridinyl]methyl]ethanamine?
The InChIKey is ZOZZFLAXQZGWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-11-8-13(9-16-6-7-20-3)10-18-14(11)21-15-17-5-4-12(2)19-15/h4-5,8,10,16H,6-7,9H2,1-3H3.
What are the key properties of 2-methoxy-N-[[5-methyl-6-(4-methylpyrimidin-2-yl)sulfanyl-3-pyridinyl]methyl]ethanamine?
2-methoxy-N-[[5-methyl-6-(4-methylpyrimidin-2-yl)sulfanyl-3-pyridinyl]methyl]ethanamine has a molecular weight of 304.42 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[5-methyl-6-(4-methylpyrimidin-2-yl)sulfanyl-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 80640543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).