2-chloro-6-(5-methylpyrimidin-2-yl)sulfanylaniline

C11H10ClN3S — CID 104835593

IUPAC2-chloro-6-(5-methylpyrimidin-2-yl)sulfanylaniline
SMILESCc1cnc(Sc2cccc(Cl)c2N)nc1
InChIInChI=1S/C11H10ClN3S/c1-7-5-14-11(15-6-7)16-9-4-2-3-8(12)10(9)13/h2-6H,13H2,1H3
InChIKeyQQJWDPOZZPODJV-UHFFFAOYSA-N
MW251.74 g/mol
LogP3.17
Rot. Bonds2

About 2-chloro-6-(5-methylpyrimidin-2-yl)sulfanylaniline

2-chloro-6-(5-methylpyrimidin-2-yl)sulfanylaniline (PubChem CID 104835593) has the molecular formula C11H10ClN3S and a molecular weight of 251.74 g/mol. Its IUPAC name is 2-chloro-6-(5-methylpyrimidin-2-yl)sulfanylaniline.

Molecular Properties

Compound Name2-chloro-6-(5-methylpyrimidin-2-yl)sulfanylaniline
PubChem CID104835593
Molecular FormulaC11H10ClN3S
Molecular Weight251.74 g/mol
Exact Mass251.03
IUPAC Name2-chloro-6-(5-methylpyrimidin-2-yl)sulfanylaniline
SMILESCc1cnc(Sc2cccc(Cl)c2N)nc1
InChIInChI=1S/C11H10ClN3S/c1-7-5-14-11(15-6-7)16-9-4-2-3-8(12)10(9)13/h2-6H,13H2,1H3
InChIKeyQQJWDPOZZPODJV-UHFFFAOYSA-N
XLogP3.17
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.74
LogP ≤ 53.17
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

5-[(4-Chlorophenyl)sulfanyl]-4-methyl-2-pyrimidinylamine
CID 1475314
2-(3-Chlorophenyl)sulfanyl-4-(trifluoromethyl)pyrimidine
CID 172436575
CID 89081956
CID 89081956
N-(3-chlorophenyl)-N-ethyl-4-phenylsulfanyl-5-(trifluoromethyl)pyrimidin-2-amine
CID 141709635
N-(2-chlorophenyl)-4-phenylsulfanyl-5-(trifluoromethyl)pyrimidin-2-amine
CID 141709643
N-(4-chlorophenyl)-N-ethyl-4-phenylsulfanyl-5-(trifluoromethyl)pyrimidin-2-amine
CID 141709684
N-(3-chlorophenyl)-N-methyl-4-phenylsulfanyl-5-(trifluoromethyl)pyrimidin-2-amine
CID 141709700
N-(4-chlorophenyl)-4-phenylsulfanyl-5-(trifluoromethyl)pyrimidin-2-amine
CID 141709713
N-(2-chlorophenyl)-N-ethyl-4-phenylsulfanyl-5-(trifluoromethyl)pyrimidin-2-amine
CID 141709716
N-(3-chlorophenyl)-4-phenylsulfanyl-5-(trifluoromethyl)pyrimidin-2-amine
CID 141709725
N-(4-chlorophenyl)-N-methyl-4-phenylsulfanyl-5-(trifluoromethyl)pyrimidin-2-amine
CID 141709734
N-(2-chlorophenyl)-N-methyl-4-phenylsulfanyl-5-(trifluoromethyl)pyrimidin-2-amine
CID 141709746

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(5-methylpyrimidin-2-yl)sulfanylaniline?
The IUPAC name of 2-chloro-6-(5-methylpyrimidin-2-yl)sulfanylaniline (CID 104835593) is 2-chloro-6-(5-methylpyrimidin-2-yl)sulfanylaniline.
What is the SMILES notation for 2-chloro-6-(5-methylpyrimidin-2-yl)sulfanylaniline?
The canonical SMILES for 2-chloro-6-(5-methylpyrimidin-2-yl)sulfanylaniline is Cc1cnc(Sc2cccc(Cl)c2N)nc1.
What is the InChIKey of 2-chloro-6-(5-methylpyrimidin-2-yl)sulfanylaniline?
The InChIKey is QQJWDPOZZPODJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3S/c1-7-5-14-11(15-6-7)16-9-4-2-3-8(12)10(9)13/h2-6H,13H2,1H3.
What are the key properties of 2-chloro-6-(5-methylpyrimidin-2-yl)sulfanylaniline?
2-chloro-6-(5-methylpyrimidin-2-yl)sulfanylaniline has a molecular weight of 251.74 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(5-methylpyrimidin-2-yl)sulfanylaniline is sourced from PubChem (CID 104835593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).