6-(2-methylphenyl)sulfanyl-5-propan-2-yl-N-propylpyrimidin-4-amine

C17H23N3S — CID 80873139

IUPAC6-(2-methylphenyl)sulfanyl-5-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(Sc2ccccc2C)c1C(C)C
InChIInChI=1S/C17H23N3S/c1-5-10-18-16-15(12(2)3)17(20-11-19-16)21-14-9-7-6-8-13(14)4/h6-9,11-12H,5,10H2,1-4H3,(H,18,19,20)
InChIKeyKZOFSPGQEKGAAW-UHFFFAOYSA-N
MW301.46 g/mol
LogP4.88
Rot. Bonds6

About 6-(2-methylphenyl)sulfanyl-5-propan-2-yl-N-propylpyrimidin-4-amine

6-(2-methylphenyl)sulfanyl-5-propan-2-yl-N-propylpyrimidin-4-amine (PubChem CID 80873139) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is 6-(2-methylphenyl)sulfanyl-5-propan-2-yl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-methylphenyl)sulfanyl-5-propan-2-yl-N-propylpyrimidin-4-amine
PubChem CID80873139
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC Name6-(2-methylphenyl)sulfanyl-5-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(Sc2ccccc2C)c1C(C)C
InChIInChI=1S/C17H23N3S/c1-5-10-18-16-15(12(2)3)17(20-11-19-16)21-14-9-7-6-8-13(14)4/h6-9,11-12H,5,10H2,1-4H3,(H,18,19,20)
InChIKeyKZOFSPGQEKGAAW-UHFFFAOYSA-N
XLogP4.88
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 ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(2-methylphenyl)sulfanyl-5-propan-2-yl-N-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

6-[(3-chloro-2-pyridinyl)sulfanyl]-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 80888443
6-(2-bromophenyl)sulfanyl-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 80888128
N-ethyl-6-(2-fluorophenyl)sulfanyl-5-propan-2-ylpyrimidin-4-amine
CID 80884434
N-ethyl-5-methyl-6-(2-methylphenyl)sulfanylpyrimidin-4-amine
CID 80885549
3-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]sulfanylbutan-2-ol
CID 107772902
3-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]sulfanylpropane-1,2-diol
CID 80894857
N,5-dimethyl-6-(2-methylphenyl)sulfanylpyrimidin-4-amine
CID 80886105
6-(2-methylsulfonylethylsulfanyl)-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 80883829
4-N-hexyl-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80836424
4-N-butan-2-yl-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80765380
5-methyl-4-N-[1-(2-methylphenyl)ethyl]-6-N-propylpyrimidine-4,6-diamine
CID 80783795
6-ethylsulfanyl-5-methyl-N-propylpyrimidin-4-amine
CID 80887936

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylphenyl)sulfanyl-5-propan-2-yl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(2-methylphenyl)sulfanyl-5-propan-2-yl-N-propylpyrimidin-4-amine (CID 80873139) is 6-(2-methylphenyl)sulfanyl-5-propan-2-yl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-methylphenyl)sulfanyl-5-propan-2-yl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(2-methylphenyl)sulfanyl-5-propan-2-yl-N-propylpyrimidin-4-amine is CCCNc1ncnc(Sc2ccccc2C)c1C(C)C.
What is the InChIKey of 6-(2-methylphenyl)sulfanyl-5-propan-2-yl-N-propylpyrimidin-4-amine?
The InChIKey is KZOFSPGQEKGAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S/c1-5-10-18-16-15(12(2)3)17(20-11-19-16)21-14-9-7-6-8-13(14)4/h6-9,11-12H,5,10H2,1-4H3,(H,18,19,20).
What are the key properties of 6-(2-methylphenyl)sulfanyl-5-propan-2-yl-N-propylpyrimidin-4-amine?
6-(2-methylphenyl)sulfanyl-5-propan-2-yl-N-propylpyrimidin-4-amine has a molecular weight of 301.46 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylphenyl)sulfanyl-5-propan-2-yl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80873139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).