4-N-(2-ethylphenyl)-2-methylsulfanylpyrimidine-4,6-diamine

C13H16N4S — CID 80761502

IUPAC4-N-(2-ethylphenyl)-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCCc1ccccc1Nc1cc(N)nc(SC)n1
InChIInChI=1S/C13H16N4S/c1-3-9-6-4-5-7-10(9)15-12-8-11(14)16-13(17-12)18-2/h4-8H,3H2,1-2H3,(H3,14,15,16,17)
InChIKeyKPXSFWFEKHWERD-UHFFFAOYSA-N
MW260.37 g/mol
LogP3.09
Rot. Bonds4

About 4-N-(2-ethylphenyl)-2-methylsulfanylpyrimidine-4,6-diamine

4-N-(2-ethylphenyl)-2-methylsulfanylpyrimidine-4,6-diamine (PubChem CID 80761502) has the molecular formula C13H16N4S and a molecular weight of 260.37 g/mol. Its IUPAC name is 4-N-(2-ethylphenyl)-2-methylsulfanylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-ethylphenyl)-2-methylsulfanylpyrimidine-4,6-diamine
PubChem CID80761502
Molecular FormulaC13H16N4S
Molecular Weight260.37 g/mol
Exact Mass260.11
IUPAC Name4-N-(2-ethylphenyl)-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCCc1ccccc1Nc1cc(N)nc(SC)n1
InChIInChI=1S/C13H16N4S/c1-3-9-6-4-5-7-10(9)15-12-8-11(14)16-13(17-12)18-2/h4-8H,3H2,1-2H3,(H3,14,15,16,17)
InChIKeyKPXSFWFEKHWERD-UHFFFAOYSA-N
XLogP3.09
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2-iodophenyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80763261
6-N-(2-ethylphenyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717119
2-methylsulfanyl-4-N-[2-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine
CID 80768573
4-N-isoquinolin-8-yl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80852329
6-(2-ethylphenoxy)-2-methylsulfanylpyrimidin-4-amine
CID 80875016
2-methylsulfanyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidine-4,6-diamine
CID 80760061
[6-(2-ethylphenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80916805
2-ethyl-4-N-[2-(2-methoxyethyl)phenyl]pyrimidine-4,6-diamine
CID 102908806
2-tert-butyl-N-(2-ethylphenyl)-6-hydrazinylpyrimidin-4-amine
CID 80969729
6-N-ethyl-4-N-[(2-ethylphenyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 80826768
4-N-(3,4-dimethylphenyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 53214462
6-chloro-N-(2-chlorophenyl)-2-methylsulfanylpyrimidin-4-amine
CID 80545283

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethylphenyl)-2-methylsulfanylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-ethylphenyl)-2-methylsulfanylpyrimidine-4,6-diamine (CID 80761502) is 4-N-(2-ethylphenyl)-2-methylsulfanylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-ethylphenyl)-2-methylsulfanylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-ethylphenyl)-2-methylsulfanylpyrimidine-4,6-diamine is CCc1ccccc1Nc1cc(N)nc(SC)n1.
What is the InChIKey of 4-N-(2-ethylphenyl)-2-methylsulfanylpyrimidine-4,6-diamine?
The InChIKey is KPXSFWFEKHWERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4S/c1-3-9-6-4-5-7-10(9)15-12-8-11(14)16-13(17-12)18-2/h4-8H,3H2,1-2H3,(H3,14,15,16,17).
What are the key properties of 4-N-(2-ethylphenyl)-2-methylsulfanylpyrimidine-4,6-diamine?
4-N-(2-ethylphenyl)-2-methylsulfanylpyrimidine-4,6-diamine has a molecular weight of 260.37 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethylphenyl)-2-methylsulfanylpyrimidine-4,6-diamine is sourced from PubChem (CID 80761502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).