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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 80892293
N-ethyl-6-pyridin-2-ylsulfanylpyrimidin-4-amine
CID 80882443
6-(2,4-dimethylphenoxy)-N-ethylpyrimidin-4-amine
CID 80862829
6-[(5-chloro-2-pyridinyl)sulfanyl]-N-ethylpyrimidin-4-amine
CID 80890451
6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpyrimidin-4-amine
CID 80889019
6-(2-tert-butyl-5-methylphenoxy)-N-ethylpyrimidin-4-amine
CID 80864924
6-(2,5-dimethylphenyl)sulfanyl-N-ethylpyridin-2-amine
CID 80893303
6-(2,4-dimethylphenyl)-N-ethylpyridazin-3-amine
CID 62204080
4-N-(2-bromo-4-methylphenyl)-6-N-ethylpyrimidine-4,6-diamine
CID 80768500
6-(2,4-dimethylphenyl)sulfanyl-4-N-methylpyrimidine-2,4-diamine
CID 80883447
N-[(2,4-dimethylphenyl)sulfanylmethyl]ethanamine
CID 117032846
N-methyl-6-(4-methylphenyl)sulfanylpyrimidin-4-amine
CID 80884929

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).