2-[2-[(3-chlorophenyl)sulfanylmethyl]-6-methylpyrimidin-4-yl]ethanamine

C14H16ClN3S — CID 66148751

IUPAC2-[2-[(3-chlorophenyl)sulfanylmethyl]-6-methylpyrimidin-4-yl]ethanamine
SMILESCc1cc(CCN)nc(CSc2cccc(Cl)c2)n1
InChIInChI=1S/C14H16ClN3S/c1-10-7-12(5-6-16)18-14(17-10)9-19-13-4-2-3-11(15)8-13/h2-4,7-8H,5-6,9,16H2,1H3
InChIKeyGVZWAYAAEZIOPU-UHFFFAOYSA-N
MW293.82 g/mol
LogP3.23
Rot. Bonds5

About 2-[2-[(3-chlorophenyl)sulfanylmethyl]-6-methylpyrimidin-4-yl]ethanamine

2-[2-[(3-chlorophenyl)sulfanylmethyl]-6-methylpyrimidin-4-yl]ethanamine (PubChem CID 66148751) has the molecular formula C14H16ClN3S and a molecular weight of 293.82 g/mol. Its IUPAC name is 2-[2-[(3-chlorophenyl)sulfanylmethyl]-6-methylpyrimidin-4-yl]ethanamine.

Molecular Properties

Compound Name2-[2-[(3-chlorophenyl)sulfanylmethyl]-6-methylpyrimidin-4-yl]ethanamine
PubChem CID66148751
Molecular FormulaC14H16ClN3S
Molecular Weight293.82 g/mol
Exact Mass293.08
IUPAC Name2-[2-[(3-chlorophenyl)sulfanylmethyl]-6-methylpyrimidin-4-yl]ethanamine
SMILESCc1cc(CCN)nc(CSc2cccc(Cl)c2)n1
InChIInChI=1S/C14H16ClN3S/c1-10-7-12(5-6-16)18-14(17-10)9-19-13-4-2-3-11(15)8-13/h2-4,7-8H,5-6,9,16H2,1H3
InChIKeyGVZWAYAAEZIOPU-UHFFFAOYSA-N
XLogP3.23
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.82
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-chlorophenyl)sulfanylmethyl]-6-methylpyrimidin-4-amine
CID 66146663
2-[2-[(4-fluorophenyl)sulfanylmethyl]-6-methylpyrimidin-4-yl]ethanamine
CID 66066519
[2-[(3-chlorophenyl)sulfanylmethyl]-6-propylpyrimidin-4-yl]hydrazine
CID 66146870
[2-[(4-chlorophenyl)sulfanylmethyl]-6-methylpyrimidin-4-yl]methanol
CID 66144398
[2-[(3-chlorophenyl)sulfanylmethyl]-6-ethylpyrimidin-4-yl]hydrazine
CID 66146872
4,6-dichloro-2-[(3-chlorophenyl)sulfanylmethyl]-5-fluoropyrimidine
CID 80550233
[5-[(3-chlorophenyl)sulfanylmethyl]-1H-1,2,4-triazol-3-yl]methanamine
CID 66146673
4-chloro-2-[(3-chlorophenyl)sulfanylmethyl]-6-cyclopropylpyrimidine
CID 66147650
4-chloro-2-[(3-chlorophenyl)sulfanylmethyl]-6-ethyl-5-iodopyrimidine
CID 66292997
1-[2-[(3-chlorophenyl)sulfanylmethyl]pyrimidin-4-yl]propan-2-amine
CID 66148956
6-methyl-2-[(3-methylphenyl)sulfanylmethyl]pyrimidin-4-amine
CID 66088954
5-chloro-3-[(3-chlorophenyl)sulfanylmethyl]-1,2,4-thiadiazole
CID 66146272

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-chlorophenyl)sulfanylmethyl]-6-methylpyrimidin-4-yl]ethanamine?
The IUPAC name of 2-[2-[(3-chlorophenyl)sulfanylmethyl]-6-methylpyrimidin-4-yl]ethanamine (CID 66148751) is 2-[2-[(3-chlorophenyl)sulfanylmethyl]-6-methylpyrimidin-4-yl]ethanamine.
What is the SMILES notation for 2-[2-[(3-chlorophenyl)sulfanylmethyl]-6-methylpyrimidin-4-yl]ethanamine?
The canonical SMILES for 2-[2-[(3-chlorophenyl)sulfanylmethyl]-6-methylpyrimidin-4-yl]ethanamine is Cc1cc(CCN)nc(CSc2cccc(Cl)c2)n1.
What is the InChIKey of 2-[2-[(3-chlorophenyl)sulfanylmethyl]-6-methylpyrimidin-4-yl]ethanamine?
The InChIKey is GVZWAYAAEZIOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3S/c1-10-7-12(5-6-16)18-14(17-10)9-19-13-4-2-3-11(15)8-13/h2-4,7-8H,5-6,9,16H2,1H3.
What are the key properties of 2-[2-[(3-chlorophenyl)sulfanylmethyl]-6-methylpyrimidin-4-yl]ethanamine?
2-[2-[(3-chlorophenyl)sulfanylmethyl]-6-methylpyrimidin-4-yl]ethanamine has a molecular weight of 293.82 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-chlorophenyl)sulfanylmethyl]-6-methylpyrimidin-4-yl]ethanamine is sourced from PubChem (CID 66148751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).