6-(2,4-dimethylphenyl)sulfanyl-N-ethylpyrimidin-4-amine

C14H17N3S — CID 80883538

IUPAC6-(2,4-dimethylphenyl)sulfanyl-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(Sc2ccc(C)cc2C)ncn1
InChIInChI=1S/C14H17N3S/c1-4-15-13-8-14(17-9-16-13)18-12-6-5-10(2)7-11(12)3/h5-9H,4H2,1-3H3,(H,15,16,17)
InChIKeyAMUBEDNEFYIGSC-UHFFFAOYSA-N
MW259.38 g/mol
LogP3.68
Rot. Bonds4

About 6-(2,4-dimethylphenyl)sulfanyl-N-ethylpyrimidin-4-amine

6-(2,4-dimethylphenyl)sulfanyl-N-ethylpyrimidin-4-amine (PubChem CID 80883538) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is 6-(2,4-dimethylphenyl)sulfanyl-N-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,4-dimethylphenyl)sulfanyl-N-ethylpyrimidin-4-amine
PubChem CID80883538
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC Name6-(2,4-dimethylphenyl)sulfanyl-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(Sc2ccc(C)cc2C)ncn1
InChIInChI=1S/C14H17N3S/c1-4-15-13-8-14(17-9-16-13)18-12-6-5-10(2)7-11(12)3/h5-9H,4H2,1-3H3,(H,15,16,17)
InChIKeyAMUBEDNEFYIGSC-UHFFFAOYSA-N
XLogP3.68
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethylphenyl)sulfanyl-N-ethylpyrimidin-4-amine?
The IUPAC name of 6-(2,4-dimethylphenyl)sulfanyl-N-ethylpyrimidin-4-amine (CID 80883538) is 6-(2,4-dimethylphenyl)sulfanyl-N-ethylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,4-dimethylphenyl)sulfanyl-N-ethylpyrimidin-4-amine?
The canonical SMILES for 6-(2,4-dimethylphenyl)sulfanyl-N-ethylpyrimidin-4-amine is CCNc1cc(Sc2ccc(C)cc2C)ncn1.
What is the InChIKey of 6-(2,4-dimethylphenyl)sulfanyl-N-ethylpyrimidin-4-amine?
The InChIKey is AMUBEDNEFYIGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-4-15-13-8-14(17-9-16-13)18-12-6-5-10(2)7-11(12)3/h5-9H,4H2,1-3H3,(H,15,16,17).
What are the key properties of 6-(2,4-dimethylphenyl)sulfanyl-N-ethylpyrimidin-4-amine?
6-(2,4-dimethylphenyl)sulfanyl-N-ethylpyrimidin-4-amine has a molecular weight of 259.38 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethylphenyl)sulfanyl-N-ethylpyrimidin-4-amine is sourced from PubChem (CID 80883538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).