N-methyl-1-(2-methylphenyl)-2-pyrimidin-2-ylsulfanylethanamine

C14H17N3S — CID 64649227

IUPACN-methyl-1-(2-methylphenyl)-2-pyrimidin-2-ylsulfanylethanamine
SMILESCNC(CSc1ncccn1)c1ccccc1C
InChIInChI=1S/C14H17N3S/c1-11-6-3-4-7-12(11)13(15-2)10-18-14-16-8-5-9-17-14/h3-9,13,15H,10H2,1-2H3
InChIKeyWMCLTLSEKRTOJT-UHFFFAOYSA-N
MW259.38 g/mol
LogP2.84
Rot. Bonds5

About N-methyl-1-(2-methylphenyl)-2-pyrimidin-2-ylsulfanylethanamine

N-methyl-1-(2-methylphenyl)-2-pyrimidin-2-ylsulfanylethanamine (PubChem CID 64649227) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is N-methyl-1-(2-methylphenyl)-2-pyrimidin-2-ylsulfanylethanamine.

Molecular Properties

Compound NameN-methyl-1-(2-methylphenyl)-2-pyrimidin-2-ylsulfanylethanamine
PubChem CID64649227
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC NameN-methyl-1-(2-methylphenyl)-2-pyrimidin-2-ylsulfanylethanamine
SMILESCNC(CSc1ncccn1)c1ccccc1C
InChIInChI=1S/C14H17N3S/c1-11-6-3-4-7-12(11)13(15-2)10-18-14-16-8-5-9-17-14/h3-9,13,15H,10H2,1-2H3
InChIKeyWMCLTLSEKRTOJT-UHFFFAOYSA-N
XLogP2.84
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-methylphenyl)-2-pyrimidin-2-ylsulfanylethyl]propan-1-amine
CID 64649429
N-methyl-1-(2-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamine
CID 64619649
N-methyl-1-(2-methylphenyl)-2-pyridin-2-ylethanamine
CID 60818162
N-methyl-1-(2-methylphenyl)-3-pyridin-2-ylpropan-1-amine
CID 105094755
N-methyl-1-(4-propylphenyl)-2-pyrimidin-2-ylsulfanylethanamine
CID 64650012
4-methyl-3-[1-(methylamino)-2-(2-methylphenyl)sulfanylethyl]pyridin-2-amine
CID 66098635
N-methyl-1-(2-methylphenyl)-2-pentylsulfanylethanamine
CID 107762989
N-methyl-2-(2-methylphenyl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanamine
CID 66096332
N-[1-(2-methylphenyl)-2-pyrimidin-4-ylsulfanylethyl]propan-1-amine
CID 64627451
N-methyl-1-pyrimidin-2-ylsulfanylbutan-2-amine
CID 64648831
N,3,3-trimethyl-1-(2-methylphenyl)butan-1-amine
CID 63891299
N-methyl-1-(2-methylphenyl)-2-phenylethanamine
CID 60819180

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylphenyl)-2-pyrimidin-2-ylsulfanylethanamine?
The IUPAC name of N-methyl-1-(2-methylphenyl)-2-pyrimidin-2-ylsulfanylethanamine (CID 64649227) is N-methyl-1-(2-methylphenyl)-2-pyrimidin-2-ylsulfanylethanamine.
What is the SMILES notation for N-methyl-1-(2-methylphenyl)-2-pyrimidin-2-ylsulfanylethanamine?
The canonical SMILES for N-methyl-1-(2-methylphenyl)-2-pyrimidin-2-ylsulfanylethanamine is CNC(CSc1ncccn1)c1ccccc1C.
What is the InChIKey of N-methyl-1-(2-methylphenyl)-2-pyrimidin-2-ylsulfanylethanamine?
The InChIKey is WMCLTLSEKRTOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-11-6-3-4-7-12(11)13(15-2)10-18-14-16-8-5-9-17-14/h3-9,13,15H,10H2,1-2H3.
What are the key properties of N-methyl-1-(2-methylphenyl)-2-pyrimidin-2-ylsulfanylethanamine?
N-methyl-1-(2-methylphenyl)-2-pyrimidin-2-ylsulfanylethanamine has a molecular weight of 259.38 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylphenyl)-2-pyrimidin-2-ylsulfanylethanamine is sourced from PubChem (CID 64649227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).