6-(2,5-dimethylphenyl)sulfanyl-N-ethyl-5-propylpyrimidin-4-amine

C17H23N3S — CID 80864229

IUPAC6-(2,5-dimethylphenyl)sulfanyl-N-ethyl-5-propylpyrimidin-4-amine
SMILESCCCc1c(NCC)ncnc1Sc1cc(C)ccc1C
InChIInChI=1S/C17H23N3S/c1-5-7-14-16(18-6-2)19-11-20-17(14)21-15-10-12(3)8-9-13(15)4/h8-11H,5-7H2,1-4H3,(H,18,19,20)
InChIKeyPHKYFCITYNHRSS-UHFFFAOYSA-N
MW301.46 g/mol
LogP4.63
Rot. Bonds6

About 6-(2,5-dimethylphenyl)sulfanyl-N-ethyl-5-propylpyrimidin-4-amine

6-(2,5-dimethylphenyl)sulfanyl-N-ethyl-5-propylpyrimidin-4-amine (PubChem CID 80864229) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is 6-(2,5-dimethylphenyl)sulfanyl-N-ethyl-5-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,5-dimethylphenyl)sulfanyl-N-ethyl-5-propylpyrimidin-4-amine
PubChem CID80864229
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC Name6-(2,5-dimethylphenyl)sulfanyl-N-ethyl-5-propylpyrimidin-4-amine
SMILESCCCc1c(NCC)ncnc1Sc1cc(C)ccc1C
InChIInChI=1S/C17H23N3S/c1-5-7-14-16(18-6-2)19-11-20-17(14)21-15-10-12(3)8-9-13(15)4/h8-11H,5-7H2,1-4H3,(H,18,19,20)
InChIKeyPHKYFCITYNHRSS-UHFFFAOYSA-N
XLogP4.63
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(2,5-dimethylphenyl)sulfanyl-N-ethyl-5-propylpyrimidin-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-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-5-propylpyrimidin-4-amine
CID 115384439
N-ethyl-5-methyl-6-(2-methylphenyl)sulfanylpyrimidin-4-amine
CID 80885549
6-[(3-bromo-2-pyridinyl)sulfanyl]-N-ethyl-5-propylpyrimidin-4-amine
CID 80890169
6-(2,5-dichlorophenyl)sulfanyl-N-methyl-5-propylpyrimidin-4-amine
CID 80884347
N-ethyl-6-(1H-imidazol-2-ylsulfanyl)-5-propylpyrimidin-4-amine
CID 107784869
[6-(2-chlorophenyl)sulfanyl-5-propylpyrimidin-4-yl]hydrazine
CID 80921884
N-ethyl-6-(1-methylimidazol-2-yl)sulfanyl-5-propylpyrimidin-4-amine
CID 80888105
4-chloro-6-(2-methylphenyl)sulfanyl-5-propylpyrimidine
CID 63730614
4-N-(2,5-dimethylphenyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80763023
4-N-ethyl-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine
CID 19135261
6-chloro-N-(2,5-dimethylphenyl)-5-propylpyrimidin-4-amine
CID 63735436
6-(3,4-difluorophenyl)sulfanyl-N,5-diethylpyrimidin-4-amine
CID 80887870

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylphenyl)sulfanyl-N-ethyl-5-propylpyrimidin-4-amine?
The IUPAC name of 6-(2,5-dimethylphenyl)sulfanyl-N-ethyl-5-propylpyrimidin-4-amine (CID 80864229) is 6-(2,5-dimethylphenyl)sulfanyl-N-ethyl-5-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,5-dimethylphenyl)sulfanyl-N-ethyl-5-propylpyrimidin-4-amine?
The canonical SMILES for 6-(2,5-dimethylphenyl)sulfanyl-N-ethyl-5-propylpyrimidin-4-amine is CCCc1c(NCC)ncnc1Sc1cc(C)ccc1C.
What is the InChIKey of 6-(2,5-dimethylphenyl)sulfanyl-N-ethyl-5-propylpyrimidin-4-amine?
The InChIKey is PHKYFCITYNHRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S/c1-5-7-14-16(18-6-2)19-11-20-17(14)21-15-10-12(3)8-9-13(15)4/h8-11H,5-7H2,1-4H3,(H,18,19,20).
What are the key properties of 6-(2,5-dimethylphenyl)sulfanyl-N-ethyl-5-propylpyrimidin-4-amine?
6-(2,5-dimethylphenyl)sulfanyl-N-ethyl-5-propylpyrimidin-4-amine has a molecular weight of 301.46 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethylphenyl)sulfanyl-N-ethyl-5-propylpyrimidin-4-amine is sourced from PubChem (CID 80864229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).