[5-chloro-2-(5-methylpyrimidin-2-yl)sulfanylphenyl]methanamine

C12H12ClN3S — CID 62495057

IUPAC[5-chloro-2-(5-methylpyrimidin-2-yl)sulfanylphenyl]methanamine
SMILESCc1cnc(Sc2ccc(Cl)cc2CN)nc1
InChIInChI=1S/C12H12ClN3S/c1-8-6-15-12(16-7-8)17-11-3-2-10(13)4-9(11)5-14/h2-4,6-7H,5,14H2,1H3
InChIKeyWGUKBMZEBNQMJU-UHFFFAOYSA-N
MW265.77 g/mol
LogP3.05
Rot. Bonds3

About [5-chloro-2-(5-methylpyrimidin-2-yl)sulfanylphenyl]methanamine

[5-chloro-2-(5-methylpyrimidin-2-yl)sulfanylphenyl]methanamine (PubChem CID 62495057) has the molecular formula C12H12ClN3S and a molecular weight of 265.77 g/mol. Its IUPAC name is [5-chloro-2-(5-methylpyrimidin-2-yl)sulfanylphenyl]methanamine.

Molecular Properties

Compound Name[5-chloro-2-(5-methylpyrimidin-2-yl)sulfanylphenyl]methanamine
PubChem CID62495057
Molecular FormulaC12H12ClN3S
Molecular Weight265.77 g/mol
Exact Mass265.04
IUPAC Name[5-chloro-2-(5-methylpyrimidin-2-yl)sulfanylphenyl]methanamine
SMILESCc1cnc(Sc2ccc(Cl)cc2CN)nc1
InChIInChI=1S/C12H12ClN3S/c1-8-6-15-12(16-7-8)17-11-3-2-10(13)4-9(11)5-14/h2-4,6-7H,5,14H2,1H3
InChIKeyWGUKBMZEBNQMJU-UHFFFAOYSA-N
XLogP3.05
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.77
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-fluoro-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]methanamine
CID 61382947
4-chloro-2-[(5-methylpyrimidin-2-yl)sulfanylmethyl]aniline
CID 79582518
[5-chloro-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanamine
CID 104603463
(2-tert-butylsulfanyl-5-chlorophenyl)methanamine
CID 62493862
(5-chloro-2-propan-2-ylsulfanylphenyl)methanamine;hydrochloride
CID 66878534
5-chloro-2-[(5-methylpyrimidin-2-yl)sulfanylmethyl]aniline
CID 62101603
N-[(5-chloro-2-pyrimidin-2-ylsulfanylphenyl)methyl]ethanamine
CID 114864195
2-[2-[2-(2-aminoethyl)-4-chlorophenyl]sulfanyl-5-chlorophenyl]ethanamine
CID 67297854
[5-chloro-2-(4-methylpyrimidin-2-yl)sulfanylphenyl]methanol
CID 114865556
2-[2-methyl-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]ethanamine
CID 63818905
3-[2-(aminomethyl)-4-chlorophenyl]sulfanyl-2-methylpropan-1-ol
CID 114864970
2-chloro-6-(5-methylpyrimidin-2-yl)sulfanylaniline
CID 104835593

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(5-methylpyrimidin-2-yl)sulfanylphenyl]methanamine?
The IUPAC name of [5-chloro-2-(5-methylpyrimidin-2-yl)sulfanylphenyl]methanamine (CID 62495057) is [5-chloro-2-(5-methylpyrimidin-2-yl)sulfanylphenyl]methanamine.
What is the SMILES notation for [5-chloro-2-(5-methylpyrimidin-2-yl)sulfanylphenyl]methanamine?
The canonical SMILES for [5-chloro-2-(5-methylpyrimidin-2-yl)sulfanylphenyl]methanamine is Cc1cnc(Sc2ccc(Cl)cc2CN)nc1.
What is the InChIKey of [5-chloro-2-(5-methylpyrimidin-2-yl)sulfanylphenyl]methanamine?
The InChIKey is WGUKBMZEBNQMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3S/c1-8-6-15-12(16-7-8)17-11-3-2-10(13)4-9(11)5-14/h2-4,6-7H,5,14H2,1H3.
What are the key properties of [5-chloro-2-(5-methylpyrimidin-2-yl)sulfanylphenyl]methanamine?
[5-chloro-2-(5-methylpyrimidin-2-yl)sulfanylphenyl]methanamine has a molecular weight of 265.77 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(5-methylpyrimidin-2-yl)sulfanylphenyl]methanamine is sourced from PubChem (CID 62495057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).