4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5-fluoro-N-propylpyrimidin-2-amine

C13H16FN5S — CID 80891837

IUPAC4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5-fluoro-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(Sc2nc(C)cc(C)n2)n1
InChIInChI=1S/C13H16FN5S/c1-4-5-15-12-16-7-10(14)11(19-12)20-13-17-8(2)6-9(3)18-13/h6-7H,4-5H2,1-3H3,(H,15,16,19)
InChIKeyYLWZKSZXZYQJNU-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.00
Rot. Bonds5

About 4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5-fluoro-N-propylpyrimidin-2-amine

4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5-fluoro-N-propylpyrimidin-2-amine (PubChem CID 80891837) has the molecular formula C13H16FN5S and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5-fluoro-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5-fluoro-N-propylpyrimidin-2-amine
PubChem CID80891837
Molecular FormulaC13H16FN5S
Molecular Weight293.37 g/mol
Exact Mass293.11
IUPAC Name4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5-fluoro-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(Sc2nc(C)cc(C)n2)n1
InChIInChI=1S/C13H16FN5S/c1-4-5-15-12-16-7-10(14)11(19-12)20-13-17-8(2)6-9(3)18-13/h6-7H,4-5H2,1-3H3,(H,15,16,19)
InChIKeyYLWZKSZXZYQJNU-UHFFFAOYSA-N
XLogP3.00
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5-fluoro-N-propylpyrimidin-2-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

5-{[(4,6-Dimethyl-2-pyrimidinyl)thio]methyl}-2-methyl-4-pyrimidinamine
CID 977333
N-(4,6-dimethyl-2-pyrimidinyl)-2-[(4-methyl-2-pyrimidinyl)sulfanyl]acetamide
CID 888739
N-(4,6-dimethylpyrimidin-2-yl)-2-pyrimidin-2-ylthioacetamide
CID 951221
2-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]-N-(2-pyrimidinyl)acetamide
CID 672416
1-(3-((4,6-Dimethylpyrimidin-2-yl)thio)propyl)-3-(4-methylpyrimidin-2-yl)urea
CID 18584277
N-[3-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropyl]pyrimidin-2-amine
CID 53609506
2-(2-Chloro-5-fluoropyrimidin-4-yl)sulfanyl-4,5,6-trimethylpyrimidine
CID 79075599
2-Chloro-5-fluoro-4-(4-methylpyrimidin-2-yl)sulfanylpyrimidine
CID 79075709
2-Chloro-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5-fluoropyrimidine
CID 79075811
5-fluoro-N-propyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-2-amine
CID 80886994
5-Fluoro-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-2-amine
CID 80890438
N-ethyl-5-fluoro-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-2-amine
CID 80890784

Frequently Asked Questions

What is the IUPAC name of 4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5-fluoro-N-propylpyrimidin-2-amine?
The IUPAC name of 4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5-fluoro-N-propylpyrimidin-2-amine (CID 80891837) is 4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5-fluoro-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5-fluoro-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5-fluoro-N-propylpyrimidin-2-amine is CCCNc1ncc(F)c(Sc2nc(C)cc(C)n2)n1.
What is the InChIKey of 4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5-fluoro-N-propylpyrimidin-2-amine?
The InChIKey is YLWZKSZXZYQJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN5S/c1-4-5-15-12-16-7-10(14)11(19-12)20-13-17-8(2)6-9(3)18-13/h6-7H,4-5H2,1-3H3,(H,15,16,19).
What are the key properties of 4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5-fluoro-N-propylpyrimidin-2-amine?
4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5-fluoro-N-propylpyrimidin-2-amine has a molecular weight of 293.37 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5-fluoro-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80891837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).