[2-ethyl-5-methyl-6-(2-methylphenyl)sulfanylpyrimidin-4-yl]hydrazine

C14H18N4S — CID 81001116

IUPAC[2-ethyl-5-methyl-6-(2-methylphenyl)sulfanylpyrimidin-4-yl]hydrazine
SMILESCCc1nc(NN)c(C)c(Sc2ccccc2C)n1
InChIInChI=1S/C14H18N4S/c1-4-12-16-13(18-15)10(3)14(17-12)19-11-8-6-5-7-9(11)2/h5-8H,4,15H2,1-3H3,(H,16,17,18)
InChIKeyCZRXFRZBCZYXJG-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.09
Rot. Bonds4

About [2-ethyl-5-methyl-6-(2-methylphenyl)sulfanylpyrimidin-4-yl]hydrazine

[2-ethyl-5-methyl-6-(2-methylphenyl)sulfanylpyrimidin-4-yl]hydrazine (PubChem CID 81001116) has the molecular formula C14H18N4S and a molecular weight of 274.39 g/mol. Its IUPAC name is [2-ethyl-5-methyl-6-(2-methylphenyl)sulfanylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-ethyl-5-methyl-6-(2-methylphenyl)sulfanylpyrimidin-4-yl]hydrazine
PubChem CID81001116
Molecular FormulaC14H18N4S
Molecular Weight274.39 g/mol
Exact Mass274.13
IUPAC Name[2-ethyl-5-methyl-6-(2-methylphenyl)sulfanylpyrimidin-4-yl]hydrazine
SMILESCCc1nc(NN)c(C)c(Sc2ccccc2C)n1
InChIInChI=1S/C14H18N4S/c1-4-12-16-13(18-15)10(3)14(17-12)19-11-8-6-5-7-9(11)2/h5-8H,4,15H2,1-3H3,(H,16,17,18)
InChIKeyCZRXFRZBCZYXJG-UHFFFAOYSA-N
XLogP3.09
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-ethyl-5-methyl-6-(2-methylphenyl)sulfanylpyrimidine
CID 80977646
[2-ethyl-5-methyl-6-(4-propan-2-ylphenyl)sulfanylpyrimidin-4-yl]hydrazine
CID 81000228
[2-ethyl-5-methyl-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-4-yl]hydrazine
CID 81001449
N,2-diethyl-6-(2-fluorophenyl)sulfanyl-5-methylpyrimidin-4-amine
CID 80991094
2-ethyl-6-hydrazinyl-5-methyl-N-(2-methylphenyl)pyrimidin-4-amine
CID 81006724
[2-ethyl-5-methyl-6-(2-methylphenoxy)pyrimidin-4-yl]hydrazine
CID 81000967
[2-ethyl-5-methyl-6-(2-methylbutylsulfanyl)pyrimidin-4-yl]hydrazine
CID 107766327
N-ethyl-5-methyl-6-(2-methylphenyl)sulfanylpyrimidin-4-amine
CID 80885549
3-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)sulfanylpropan-1-ol
CID 80997107
[6-[(3-bromo-2-pyridinyl)sulfanyl]-5-methyl-2-propylpyrimidin-4-yl]hydrazine
CID 81000777
2-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-phenylethanol
CID 81006900
2-ethyl-6-hydrazinyl-N-(2-iodophenyl)-5-methylpyrimidin-4-amine
CID 81007542

Frequently Asked Questions

What is the IUPAC name of [2-ethyl-5-methyl-6-(2-methylphenyl)sulfanylpyrimidin-4-yl]hydrazine?
The IUPAC name of [2-ethyl-5-methyl-6-(2-methylphenyl)sulfanylpyrimidin-4-yl]hydrazine (CID 81001116) is [2-ethyl-5-methyl-6-(2-methylphenyl)sulfanylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-ethyl-5-methyl-6-(2-methylphenyl)sulfanylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-ethyl-5-methyl-6-(2-methylphenyl)sulfanylpyrimidin-4-yl]hydrazine is CCc1nc(NN)c(C)c(Sc2ccccc2C)n1.
What is the InChIKey of [2-ethyl-5-methyl-6-(2-methylphenyl)sulfanylpyrimidin-4-yl]hydrazine?
The InChIKey is CZRXFRZBCZYXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4S/c1-4-12-16-13(18-15)10(3)14(17-12)19-11-8-6-5-7-9(11)2/h5-8H,4,15H2,1-3H3,(H,16,17,18).
What are the key properties of [2-ethyl-5-methyl-6-(2-methylphenyl)sulfanylpyrimidin-4-yl]hydrazine?
[2-ethyl-5-methyl-6-(2-methylphenyl)sulfanylpyrimidin-4-yl]hydrazine has a molecular weight of 274.39 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 [2-ethyl-5-methyl-6-(2-methylphenyl)sulfanylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 81001116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).