4-N-ethyl-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine

C13H16N4S — CID 19135261

IUPAC4-N-ethyl-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine
SMILESCCNc1ncnc(Sc2ccc(C)cc2)c1N
InChIInChI=1S/C13H16N4S/c1-3-15-12-11(14)13(17-8-16-12)18-10-6-4-9(2)5-7-10/h4-8H,3,14H2,1-2H3,(H,15,16,17)
InChIKeyYKOHABFMPKOGHU-UHFFFAOYSA-N
MW260.37 g/mol
LogP2.95
Rot. Bonds4

About 4-N-ethyl-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine

4-N-ethyl-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine (PubChem CID 19135261) has the molecular formula C13H16N4S and a molecular weight of 260.37 g/mol. Its IUPAC name is 4-N-ethyl-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-ethyl-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine
PubChem CID19135261
Molecular FormulaC13H16N4S
Molecular Weight260.37 g/mol
Exact Mass260.11
IUPAC Name4-N-ethyl-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine
SMILESCCNc1ncnc(Sc2ccc(C)cc2)c1N
InChIInChI=1S/C13H16N4S/c1-3-15-12-11(14)13(17-8-16-12)18-10-6-4-9(2)5-7-10/h4-8H,3,14H2,1-2H3,(H,15,16,17)
InChIKeyYKOHABFMPKOGHU-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydrazinyl-6-(4-methylphenyl)sulfanylpyrimidin-5-amine
CID 19149890
4-N-[(2-chlorophenyl)methyl]-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine
CID 19149957
6-(4-methylphenyl)sulfanyl-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine
CID 19149974
4-ethoxy-6-(4-methylphenyl)sulfanylpyrimidin-5-amine
CID 19149917
4-N-butyl-6-(4-chlorophenyl)sulfanylpyrimidine-4,5-diamine
CID 19134776
4-(2,2-diphenylhydrazinyl)-6-(4-methylphenyl)sulfanylpyrimidin-5-amine
CID 19146603
6-(4-methylphenyl)sulfanyl-4-N-(1-phenylethyl)pyrimidine-4,5-diamine
CID 19145707
6-(4-chlorophenyl)sulfanyl-4-N-hexadecylpyrimidine-4,5-diamine
CID 19136540
4-N-(3-chlorophenyl)-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine
CID 19148358
4-N-hexadecyl-6-phenylsulfanylpyrimidine-4,5-diamine
CID 19142416
6-(4-methylphenyl)sulfanyl-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5-diamine
CID 19149943
4-N-(6-methyl-1,3-benzothiazol-2-yl)-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine
CID 19149887

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine?
The IUPAC name of 4-N-ethyl-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine (CID 19135261) is 4-N-ethyl-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-ethyl-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine?
The canonical SMILES for 4-N-ethyl-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine is CCNc1ncnc(Sc2ccc(C)cc2)c1N.
What is the InChIKey of 4-N-ethyl-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine?
The InChIKey is YKOHABFMPKOGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4S/c1-3-15-12-11(14)13(17-8-16-12)18-10-6-4-9(2)5-7-10/h4-8H,3,14H2,1-2H3,(H,15,16,17).
What are the key properties of 4-N-ethyl-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine?
4-N-ethyl-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine has a molecular weight of 260.37 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine is sourced from PubChem (CID 19135261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).