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

C16H22N4S — CID 81000228

IUPAC[2-ethyl-5-methyl-6-(4-propan-2-ylphenyl)sulfanylpyrimidin-4-yl]hydrazine
SMILESCCc1nc(NN)c(C)c(Sc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C16H22N4S/c1-5-14-18-15(20-17)11(4)16(19-14)21-13-8-6-12(7-9-13)10(2)3/h6-10H,5,17H2,1-4H3,(H,18,19,20)
InChIKeyKUFGOFRHHLHXMW-UHFFFAOYSA-N
MW302.45 g/mol
LogP3.91
Rot. Bonds5

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

[2-ethyl-5-methyl-6-(4-propan-2-ylphenyl)sulfanylpyrimidin-4-yl]hydrazine (PubChem CID 81000228) has the molecular formula C16H22N4S and a molecular weight of 302.45 g/mol. Its IUPAC name is [2-ethyl-5-methyl-6-(4-propan-2-ylphenyl)sulfanylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-ethyl-5-methyl-6-(4-propan-2-ylphenyl)sulfanylpyrimidin-4-yl]hydrazine
PubChem CID81000228
Molecular FormulaC16H22N4S
Molecular Weight302.45 g/mol
Exact Mass302.16
IUPAC Name[2-ethyl-5-methyl-6-(4-propan-2-ylphenyl)sulfanylpyrimidin-4-yl]hydrazine
SMILESCCc1nc(NN)c(C)c(Sc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C16H22N4S/c1-5-14-18-15(20-17)11(4)16(19-14)21-13-8-6-12(7-9-13)10(2)3/h6-10H,5,17H2,1-4H3,(H,18,19,20)
InChIKeyKUFGOFRHHLHXMW-UHFFFAOYSA-N
XLogP3.91
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 53.91
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

[2-ethyl-5-methyl-6-(2-methylphenyl)sulfanylpyrimidin-4-yl]hydrazine
CID 81001116
[2-ethyl-5-methyl-6-(2-methylbutylsulfanyl)pyrimidin-4-yl]hydrazine
CID 107766327
N,2-diethyl-5-methyl-6-(4-methylphenyl)sulfanylpyrimidin-4-amine
CID 80991208
[6-(4-bromophenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 81000328
(5-methyl-2-propan-2-yl-6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine
CID 80996244
[6-(3-chlorophenyl)sulfanyl-5-methyl-2-propylpyrimidin-4-yl]hydrazine
CID 81001570
3-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)sulfanylpropan-1-ol
CID 80997107
[2-ethyl-5-methyl-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-4-yl]hydrazine
CID 81001449
N,N-diethyl-2-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)sulfanylethanamine
CID 80996460
2-ethyl-5-methyl-4-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 80976892
6-(3,4-difluorophenyl)sulfanyl-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 80990085
[4-methyl-6-(4-propan-2-ylphenyl)sulfanylpyrimidin-2-yl]hydrazine
CID 80922374

Frequently Asked Questions

What is the IUPAC name of [2-ethyl-5-methyl-6-(4-propan-2-ylphenyl)sulfanylpyrimidin-4-yl]hydrazine?
The IUPAC name of [2-ethyl-5-methyl-6-(4-propan-2-ylphenyl)sulfanylpyrimidin-4-yl]hydrazine (CID 81000228) is [2-ethyl-5-methyl-6-(4-propan-2-ylphenyl)sulfanylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-ethyl-5-methyl-6-(4-propan-2-ylphenyl)sulfanylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-ethyl-5-methyl-6-(4-propan-2-ylphenyl)sulfanylpyrimidin-4-yl]hydrazine is CCc1nc(NN)c(C)c(Sc2ccc(C(C)C)cc2)n1.
What is the InChIKey of [2-ethyl-5-methyl-6-(4-propan-2-ylphenyl)sulfanylpyrimidin-4-yl]hydrazine?
The InChIKey is KUFGOFRHHLHXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4S/c1-5-14-18-15(20-17)11(4)16(19-14)21-13-8-6-12(7-9-13)10(2)3/h6-10H,5,17H2,1-4H3,(H,18,19,20).
What are the key properties of [2-ethyl-5-methyl-6-(4-propan-2-ylphenyl)sulfanylpyrimidin-4-yl]hydrazine?
[2-ethyl-5-methyl-6-(4-propan-2-ylphenyl)sulfanylpyrimidin-4-yl]hydrazine has a molecular weight of 302.45 g/mol, XLogP of 3.91, 5 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-(4-propan-2-ylphenyl)sulfanylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 81000228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).