2-methyl-N-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]aniline

C14H17N3S — CID 62579535

IUPAC2-methyl-N-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]aniline
SMILESCc1ccnc(SCCNc2ccccc2C)n1
InChIInChI=1S/C14H17N3S/c1-11-5-3-4-6-13(11)15-9-10-18-14-16-8-7-12(2)17-14/h3-8,15H,9-10H2,1-2H3
InChIKeyDNRSZPCUKXPXEM-UHFFFAOYSA-N
MW259.38 g/mol
LogP3.30
Rot. Bonds5

About 2-methyl-N-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]aniline

2-methyl-N-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]aniline (PubChem CID 62579535) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is 2-methyl-N-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]aniline.

Molecular Properties

Compound Name2-methyl-N-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]aniline
PubChem CID62579535
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC Name2-methyl-N-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]aniline
SMILESCc1ccnc(SCCNc2ccccc2C)n1
InChIInChI=1S/C14H17N3S/c1-11-5-3-4-6-13(11)15-9-10-18-14-16-8-7-12(2)17-14/h3-8,15H,9-10H2,1-2H3
InChIKeyDNRSZPCUKXPXEM-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-(2-pyridin-2-ylsulfanylethyl)aniline
CID 62578988
4-bromo-N-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]aniline
CID 62581712
4-methyl-2-[5-(4-methylpyrimidin-2-yl)sulfanylpentylsulfanyl]pyrimidine
CID 166190130
2-methyl-N-[2-(4-methylphenyl)sulfanylethyl]aniline
CID 55194770
2-ethoxy-N-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]ethanamine
CID 62580093
4-methyl-2-[[2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]pyrimidine
CID 1046861
N-(2-aminophenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpropanamide
CID 62268023
4-(4-methylpyrimidin-2-yl)sulfanyl-N-propan-2-ylbutan-1-amine
CID 62581708
2-methyl-N-[2-(2-methylfuran-3-yl)sulfanylethyl]aniline
CID 107782529
3-methoxy-N-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]propan-1-amine
CID 62582075
N-[2-(4-fluorophenyl)sulfanylethyl]-2-methylaniline
CID 55024156
N-[2-(4-bromophenyl)sulfanylethyl]-2-methylaniline
CID 63517764

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]aniline?
The IUPAC name of 2-methyl-N-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]aniline (CID 62579535) is 2-methyl-N-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]aniline.
What is the SMILES notation for 2-methyl-N-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]aniline?
The canonical SMILES for 2-methyl-N-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]aniline is Cc1ccnc(SCCNc2ccccc2C)n1.
What is the InChIKey of 2-methyl-N-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]aniline?
The InChIKey is DNRSZPCUKXPXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-11-5-3-4-6-13(11)15-9-10-18-14-16-8-7-12(2)17-14/h3-8,15H,9-10H2,1-2H3.
What are the key properties of 2-methyl-N-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]aniline?
2-methyl-N-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]aniline has a molecular weight of 259.38 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]aniline is sourced from PubChem (CID 62579535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).