1-[2-(2-chlorophenyl)sulfanylpyrimidin-5-yl]-N-methylmethanamine

C12H12ClN3S — CID 113388646

IUPAC1-[2-(2-chlorophenyl)sulfanylpyrimidin-5-yl]-N-methylmethanamine
SMILESCNCc1cnc(Sc2ccccc2Cl)nc1
InChIInChI=1S/C12H12ClN3S/c1-14-6-9-7-15-12(16-8-9)17-11-5-3-2-4-10(11)13/h2-5,7-8,14H,6H2,1H3
InChIKeyNXKZFYUJAMSPLN-UHFFFAOYSA-N
MW265.77 g/mol
LogP3.00
Rot. Bonds4

About 1-[2-(2-chlorophenyl)sulfanylpyrimidin-5-yl]-N-methylmethanamine

1-[2-(2-chlorophenyl)sulfanylpyrimidin-5-yl]-N-methylmethanamine (PubChem CID 113388646) has the molecular formula C12H12ClN3S and a molecular weight of 265.77 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)sulfanylpyrimidin-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)sulfanylpyrimidin-5-yl]-N-methylmethanamine
PubChem CID113388646
Molecular FormulaC12H12ClN3S
Molecular Weight265.77 g/mol
Exact Mass265.04
IUPAC Name1-[2-(2-chlorophenyl)sulfanylpyrimidin-5-yl]-N-methylmethanamine
SMILESCNCc1cnc(Sc2ccccc2Cl)nc1
InChIInChI=1S/C12H12ClN3S/c1-14-6-9-7-15-12(16-8-9)17-11-5-3-2-4-10(11)13/h2-5,7-8,14H,6H2,1H3
InChIKeyNXKZFYUJAMSPLN-UHFFFAOYSA-N
XLogP3.00
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.77
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-chlorophenyl)pyrimidin-5-yl]-N-methylmethanamine
CID 62756584
N-methyl-1-(2-pyrimidin-2-ylsulfanylphenyl)methanamine
CID 63804628
N-methyl-1-[2-(1,3-oxazol-2-ylsulfanyl)pyrimidin-5-yl]methanamine
CID 106926441
N-methyl-1-[2-(trichloromethyl)pyrimidin-5-yl]methanamine
CID 165466670
N-methyl-1-[2-(3-methylbutylsulfanyl)pyrimidin-5-yl]methanamine
CID 107761886
3-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methyl-5-(methylaminomethyl)pyridin-2-amine
CID 62985251
N-methyl-1-(6-phenylsulfanyl-3-pyridinyl)methanamine
CID 79016211
2-chloro-6-(5-methylpyrimidin-2-yl)sulfanylaniline
CID 104835593
4-(2-chlorophenyl)sulfanyl-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
CID 80872051
N-[[3-chloro-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]methyl]propan-2-amine
CID 81160313
1-[2-chloro-6-(2-methoxyphenyl)sulfanylphenyl]-N-methylmethanamine
CID 55239641
N-[1-(2-chlorophenyl)ethyl]-N,3-dimethyl-5-(methylaminomethyl)pyridin-2-amine
CID 80638564

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)sulfanylpyrimidin-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(2-chlorophenyl)sulfanylpyrimidin-5-yl]-N-methylmethanamine (CID 113388646) is 1-[2-(2-chlorophenyl)sulfanylpyrimidin-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(2-chlorophenyl)sulfanylpyrimidin-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(2-chlorophenyl)sulfanylpyrimidin-5-yl]-N-methylmethanamine is CNCc1cnc(Sc2ccccc2Cl)nc1.
What is the InChIKey of 1-[2-(2-chlorophenyl)sulfanylpyrimidin-5-yl]-N-methylmethanamine?
The InChIKey is NXKZFYUJAMSPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3S/c1-14-6-9-7-15-12(16-8-9)17-11-5-3-2-4-10(11)13/h2-5,7-8,14H,6H2,1H3.
What are the key properties of 1-[2-(2-chlorophenyl)sulfanylpyrimidin-5-yl]-N-methylmethanamine?
1-[2-(2-chlorophenyl)sulfanylpyrimidin-5-yl]-N-methylmethanamine has a molecular weight of 265.77 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)sulfanylpyrimidin-5-yl]-N-methylmethanamine is sourced from PubChem (CID 113388646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).