4-ethoxy-6-(4-methylphenyl)sulfanylpyrimidin-5-amine

C13H15N3OS — CID 19149917

IUPAC4-ethoxy-6-(4-methylphenyl)sulfanylpyrimidin-5-amine
SMILESCCOc1ncnc(Sc2ccc(C)cc2)c1N
InChIInChI=1S/C13H15N3OS/c1-3-17-12-11(14)13(16-8-15-12)18-10-6-4-9(2)5-7-10/h4-8H,3,14H2,1-2H3
InChIKeyIMDSLLRYNHRKCV-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.92
Rot. Bonds4

About 4-ethoxy-6-(4-methylphenyl)sulfanylpyrimidin-5-amine

4-ethoxy-6-(4-methylphenyl)sulfanylpyrimidin-5-amine (PubChem CID 19149917) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 4-ethoxy-6-(4-methylphenyl)sulfanylpyrimidin-5-amine.

Molecular Properties

Compound Name4-ethoxy-6-(4-methylphenyl)sulfanylpyrimidin-5-amine
PubChem CID19149917
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name4-ethoxy-6-(4-methylphenyl)sulfanylpyrimidin-5-amine
SMILESCCOc1ncnc(Sc2ccc(C)cc2)c1N
InChIInChI=1S/C13H15N3OS/c1-3-17-12-11(14)13(16-8-15-12)18-10-6-4-9(2)5-7-10/h4-8H,3,14H2,1-2H3
InChIKeyIMDSLLRYNHRKCV-UHFFFAOYSA-N
XLogP2.92
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methylphenoxy)-6-(4-methylphenyl)sulfanylpyrimidin-5-amine
CID 19149920
4-(4-chlorophenyl)sulfanyl-6-(4-methylphenoxy)pyrimidin-5-amine
CID 19136635
4-N-ethyl-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine
CID 19135261
4-hydrazinyl-6-(4-methylphenyl)sulfanylpyrimidin-5-amine
CID 19149890
4-ethoxy-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-5-amine
CID 115382776
4-(4-chlorophenyl)sulfanyl-6-(4-methoxyphenoxy)pyrimidin-5-amine
CID 19136685
4-(3,5-dimethylpyrazol-1-yl)-6-(4-methylphenyl)sulfanylpyrimidin-5-amine
CID 19149978
4-(4-chlorophenyl)sulfanyl-6-ethoxy-5-nitropyrimidine
CID 23488588
4-N-ethyl-6-(4-methylphenyl)sulfanyl-4-N-naphthalen-1-ylpyrimidine-4,5-diamine
CID 22545836
6-(4-methylphenyl)sulfanyl-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine
CID 19149974
4-(2-ethylpiperidin-1-yl)-6-(4-methylphenyl)sulfanylpyrimidin-5-amine
CID 19140492
4-(2,2-diphenylhydrazinyl)-6-(4-methylphenyl)sulfanylpyrimidin-5-amine
CID 19146603

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-(4-methylphenyl)sulfanylpyrimidin-5-amine?
The IUPAC name of 4-ethoxy-6-(4-methylphenyl)sulfanylpyrimidin-5-amine (CID 19149917) is 4-ethoxy-6-(4-methylphenyl)sulfanylpyrimidin-5-amine.
What is the SMILES notation for 4-ethoxy-6-(4-methylphenyl)sulfanylpyrimidin-5-amine?
The canonical SMILES for 4-ethoxy-6-(4-methylphenyl)sulfanylpyrimidin-5-amine is CCOc1ncnc(Sc2ccc(C)cc2)c1N.
What is the InChIKey of 4-ethoxy-6-(4-methylphenyl)sulfanylpyrimidin-5-amine?
The InChIKey is IMDSLLRYNHRKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-3-17-12-11(14)13(16-8-15-12)18-10-6-4-9(2)5-7-10/h4-8H,3,14H2,1-2H3.
What are the key properties of 4-ethoxy-6-(4-methylphenyl)sulfanylpyrimidin-5-amine?
4-ethoxy-6-(4-methylphenyl)sulfanylpyrimidin-5-amine has a molecular weight of 261.35 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-(4-methylphenyl)sulfanylpyrimidin-5-amine is sourced from PubChem (CID 19149917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).