6-ethyl-N-methyl-2-[(4-methylphenyl)sulfanylmethyl]pyrimidin-4-amine

C15H19N3S — CID 66066020

IUPAC6-ethyl-N-methyl-2-[(4-methylphenyl)sulfanylmethyl]pyrimidin-4-amine
SMILESCCc1cc(NC)nc(CSc2ccc(C)cc2)n1
InChIInChI=1S/C15H19N3S/c1-4-12-9-14(16-3)18-15(17-12)10-19-13-7-5-11(2)6-8-13/h5-9H,4,10H2,1-3H3,(H,16,17,18)
InChIKeyXNHZHCWGBOEXMK-UHFFFAOYSA-N
MW273.41 g/mol
LogP3.68
Rot. Bonds5

About 6-ethyl-N-methyl-2-[(4-methylphenyl)sulfanylmethyl]pyrimidin-4-amine

6-ethyl-N-methyl-2-[(4-methylphenyl)sulfanylmethyl]pyrimidin-4-amine (PubChem CID 66066020) has the molecular formula C15H19N3S and a molecular weight of 273.41 g/mol. Its IUPAC name is 6-ethyl-N-methyl-2-[(4-methylphenyl)sulfanylmethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-N-methyl-2-[(4-methylphenyl)sulfanylmethyl]pyrimidin-4-amine
PubChem CID66066020
Molecular FormulaC15H19N3S
Molecular Weight273.41 g/mol
Exact Mass273.13
IUPAC Name6-ethyl-N-methyl-2-[(4-methylphenyl)sulfanylmethyl]pyrimidin-4-amine
SMILESCCc1cc(NC)nc(CSc2ccc(C)cc2)n1
InChIInChI=1S/C15H19N3S/c1-4-12-9-14(16-3)18-15(17-12)10-19-13-7-5-11(2)6-8-13/h5-9H,4,10H2,1-3H3,(H,16,17,18)
InChIKeyXNHZHCWGBOEXMK-UHFFFAOYSA-N
XLogP3.68
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.41
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-fluorophenyl)sulfanylmethyl]-N,6-dimethylpyrimidin-4-amine
CID 66065128
6-(methoxymethyl)-N-methyl-2-(phenylsulfanylmethyl)pyrimidin-4-amine
CID 65143448
5-iodo-N,6-dimethyl-2-[(4-methylphenyl)sulfanylmethyl]pyrimidin-4-amine
CID 66305916
[6-tert-butyl-2-[(4-methylphenyl)sulfanylmethyl]pyrimidin-4-yl]hydrazine
CID 66065031
[2-[(3-chlorophenyl)sulfanylmethyl]-6-ethylpyrimidin-4-yl]hydrazine
CID 66146872
6-ethyl-N-methyl-2-(3-methylbutyl)pyrimidin-4-amine
CID 62190576
6-ethyl-N-methyl-2-(2-phenylethyl)pyrimidin-4-amine
CID 62190210
[2-[(4-chlorophenyl)sulfanylmethyl]-6-propylpyrimidin-4-yl]hydrazine
CID 66143033
2-[(2-chlorophenyl)sulfanylmethyl]-N,6-dimethylpyrimidin-4-amine
CID 66153137
N-[[2-[(4-methylphenyl)sulfanylmethyl]pyrimidin-4-yl]methyl]ethanamine
CID 66064251
[2-(phenylsulfanylmethyl)-6-propylpyrimidin-4-yl]hydrazine
CID 65143778
2-[(4-fluorophenyl)sulfanylmethyl]-6-methyl-N-propylpyrimidin-4-amine
CID 66065324

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-methyl-2-[(4-methylphenyl)sulfanylmethyl]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-N-methyl-2-[(4-methylphenyl)sulfanylmethyl]pyrimidin-4-amine (CID 66066020) is 6-ethyl-N-methyl-2-[(4-methylphenyl)sulfanylmethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-N-methyl-2-[(4-methylphenyl)sulfanylmethyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-N-methyl-2-[(4-methylphenyl)sulfanylmethyl]pyrimidin-4-amine is CCc1cc(NC)nc(CSc2ccc(C)cc2)n1.
What is the InChIKey of 6-ethyl-N-methyl-2-[(4-methylphenyl)sulfanylmethyl]pyrimidin-4-amine?
The InChIKey is XNHZHCWGBOEXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-4-12-9-14(16-3)18-15(17-12)10-19-13-7-5-11(2)6-8-13/h5-9H,4,10H2,1-3H3,(H,16,17,18).
What are the key properties of 6-ethyl-N-methyl-2-[(4-methylphenyl)sulfanylmethyl]pyrimidin-4-amine?
6-ethyl-N-methyl-2-[(4-methylphenyl)sulfanylmethyl]pyrimidin-4-amine has a molecular weight of 273.41 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-methyl-2-[(4-methylphenyl)sulfanylmethyl]pyrimidin-4-amine is sourced from PubChem (CID 66066020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).