2-(6-methylpyrimidin-4-yl)sulfanylaniline

C11H11N3S — CID 61370625

IUPAC2-(6-methylpyrimidin-4-yl)sulfanylaniline
SMILESCc1cc(Sc2ccccc2N)ncn1
InChIInChI=1S/C11H11N3S/c1-8-6-11(14-7-13-8)15-10-5-3-2-4-9(10)12/h2-7H,12H2,1H3
InChIKeyGTCKKLRELKECCM-UHFFFAOYSA-N
MW217.30 g/mol
LogP2.52
Rot. Bonds2

About 2-(6-methylpyrimidin-4-yl)sulfanylaniline

2-(6-methylpyrimidin-4-yl)sulfanylaniline (PubChem CID 61370625) has the molecular formula C11H11N3S and a molecular weight of 217.30 g/mol. Its IUPAC name is 2-(6-methylpyrimidin-4-yl)sulfanylaniline.

Molecular Properties

Compound Name2-(6-methylpyrimidin-4-yl)sulfanylaniline
PubChem CID61370625
Molecular FormulaC11H11N3S
Molecular Weight217.30 g/mol
Exact Mass217.07
IUPAC Name2-(6-methylpyrimidin-4-yl)sulfanylaniline
SMILESCc1cc(Sc2ccccc2N)ncn1
InChIInChI=1S/C11H11N3S/c1-8-6-11(14-7-13-8)15-10-5-3-2-4-9(10)12/h2-7H,12H2,1H3
InChIKeyGTCKKLRELKECCM-UHFFFAOYSA-N
XLogP2.52
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]aniline
CID 102924564
2-[(6-ethoxy-2-pyridinyl)sulfanyl]aniline
CID 63589730
2-(6-methylpyrimidin-4-yl)aniline
CID 82278535
4-methyl-6-(2-methylphenyl)sulfanylpyridin-3-amine
CID 79176562
2-(2,5-dimethylpyrazol-3-yl)sulfanylaniline
CID 62409911
2-(6-methylpyrimidin-4-yl)sulfanyl-1,3-benzothiazole
CID 78843311
(2R)-2-(6-methylpyrimidin-4-yl)sulfanyl-N-phenylpropanamide
CID 1408751
2-methyl-3-(6-methylpyrimidin-4-yl)oxyaniline
CID 61226507
2-[4-(4-aminophenyl)sulfanylphenyl]sulfanylaniline
CID 142730597
2-[(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]aniline
CID 94673379
4-fluoro-6-(2-methoxyphenyl)sulfanylpyrimidine
CID 115417343
N-[(2-aminophenyl)methyl]-6-methyl-N-propan-2-ylpyrimidin-4-amine
CID 61225311

Frequently Asked Questions

What is the IUPAC name of 2-(6-methylpyrimidin-4-yl)sulfanylaniline?
The IUPAC name of 2-(6-methylpyrimidin-4-yl)sulfanylaniline (CID 61370625) is 2-(6-methylpyrimidin-4-yl)sulfanylaniline.
What is the SMILES notation for 2-(6-methylpyrimidin-4-yl)sulfanylaniline?
The canonical SMILES for 2-(6-methylpyrimidin-4-yl)sulfanylaniline is Cc1cc(Sc2ccccc2N)ncn1.
What is the InChIKey of 2-(6-methylpyrimidin-4-yl)sulfanylaniline?
The InChIKey is GTCKKLRELKECCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3S/c1-8-6-11(14-7-13-8)15-10-5-3-2-4-9(10)12/h2-7H,12H2,1H3.
What are the key properties of 2-(6-methylpyrimidin-4-yl)sulfanylaniline?
2-(6-methylpyrimidin-4-yl)sulfanylaniline has a molecular weight of 217.30 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylpyrimidin-4-yl)sulfanylaniline is sourced from PubChem (CID 61370625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).