6-[(3,5-dimethylphenyl)methylsulfanyl]-N-ethyl-2-methylpyrimidin-4-amine

C16H21N3S — CID 80894774

IUPAC6-[(3,5-dimethylphenyl)methylsulfanyl]-N-ethyl-2-methylpyrimidin-4-amine
SMILESCCNc1cc(SCc2cc(C)cc(C)c2)nc(C)n1
InChIInChI=1S/C16H21N3S/c1-5-17-15-9-16(19-13(4)18-15)20-10-14-7-11(2)6-12(3)8-14/h6-9H,5,10H2,1-4H3,(H,17,18,19)
InChIKeyJGXNMYAIENMVHM-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.13
Rot. Bonds5

About 6-[(3,5-dimethylphenyl)methylsulfanyl]-N-ethyl-2-methylpyrimidin-4-amine

6-[(3,5-dimethylphenyl)methylsulfanyl]-N-ethyl-2-methylpyrimidin-4-amine (PubChem CID 80894774) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is 6-[(3,5-dimethylphenyl)methylsulfanyl]-N-ethyl-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(3,5-dimethylphenyl)methylsulfanyl]-N-ethyl-2-methylpyrimidin-4-amine
PubChem CID80894774
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC Name6-[(3,5-dimethylphenyl)methylsulfanyl]-N-ethyl-2-methylpyrimidin-4-amine
SMILESCCNc1cc(SCc2cc(C)cc(C)c2)nc(C)n1
InChIInChI=1S/C16H21N3S/c1-5-17-15-9-16(19-13(4)18-15)20-10-14-7-11(2)6-12(3)8-14/h6-9H,5,10H2,1-4H3,(H,17,18,19)
InChIKeyJGXNMYAIENMVHM-UHFFFAOYSA-N
XLogP4.13
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-benzylsulfanyl-2-methyl-N-propylpyrimidin-4-amine
CID 80888395
N-ethyl-2-methyl-6-phenylsulfanylpyrimidin-4-amine
CID 80888102
2-methyl-N-propyl-6-propylsulfanylpyrimidin-4-amine
CID 80886667
N-ethyl-2-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine
CID 80894982
N,6-diethyl-2-methylpyrimidin-4-amine
CID 62191281
N-ethyl-2-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine
CID 80893372
6-(3-bromophenyl)sulfanyl-N-ethyl-2-methylpyrimidin-4-amine
CID 80889647
2-ethyl-6-[(3-methylphenyl)methylsulfanyl]-N-propylpyrimidin-4-amine
CID 80939326
N-ethyl-2-methyl-6-(4-methylsulfonylphenyl)sulfanylpyrimidin-4-amine
CID 80888556
N-ethyl-2-methyl-6-propan-2-ylpyrimidin-4-amine
CID 62191118
4-benzylsulfanyl-N-ethyl-6-methylpyrimidin-2-amine
CID 80884832
N-ethyl-2-propyl-6-propylsulfanylpyrimidin-4-amine
CID 80947510

Frequently Asked Questions

What is the IUPAC name of 6-[(3,5-dimethylphenyl)methylsulfanyl]-N-ethyl-2-methylpyrimidin-4-amine?
The IUPAC name of 6-[(3,5-dimethylphenyl)methylsulfanyl]-N-ethyl-2-methylpyrimidin-4-amine (CID 80894774) is 6-[(3,5-dimethylphenyl)methylsulfanyl]-N-ethyl-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-[(3,5-dimethylphenyl)methylsulfanyl]-N-ethyl-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-[(3,5-dimethylphenyl)methylsulfanyl]-N-ethyl-2-methylpyrimidin-4-amine is CCNc1cc(SCc2cc(C)cc(C)c2)nc(C)n1.
What is the InChIKey of 6-[(3,5-dimethylphenyl)methylsulfanyl]-N-ethyl-2-methylpyrimidin-4-amine?
The InChIKey is JGXNMYAIENMVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-5-17-15-9-16(19-13(4)18-15)20-10-14-7-11(2)6-12(3)8-14/h6-9H,5,10H2,1-4H3,(H,17,18,19).
What are the key properties of 6-[(3,5-dimethylphenyl)methylsulfanyl]-N-ethyl-2-methylpyrimidin-4-amine?
6-[(3,5-dimethylphenyl)methylsulfanyl]-N-ethyl-2-methylpyrimidin-4-amine has a molecular weight of 287.43 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,5-dimethylphenyl)methylsulfanyl]-N-ethyl-2-methylpyrimidin-4-amine is sourced from PubChem (CID 80894774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).