[6-(3,4-dimethylphenyl)sulfanyl-5-propan-2-ylpyrimidin-4-yl]hydrazine

C15H20N4S — CID 80931234

IUPAC[6-(3,4-dimethylphenyl)sulfanyl-5-propan-2-ylpyrimidin-4-yl]hydrazine
SMILESCc1ccc(Sc2ncnc(NN)c2C(C)C)cc1C
InChIInChI=1S/C15H20N4S/c1-9(2)13-14(19-16)17-8-18-15(13)20-12-6-5-10(3)11(4)7-12/h5-9H,16H2,1-4H3,(H,17,18,19)
InChIKeyQNYYEGNVPLVIKH-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.65
Rot. Bonds4

About [6-(3,4-dimethylphenyl)sulfanyl-5-propan-2-ylpyrimidin-4-yl]hydrazine

[6-(3,4-dimethylphenyl)sulfanyl-5-propan-2-ylpyrimidin-4-yl]hydrazine (PubChem CID 80931234) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is [6-(3,4-dimethylphenyl)sulfanyl-5-propan-2-ylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(3,4-dimethylphenyl)sulfanyl-5-propan-2-ylpyrimidin-4-yl]hydrazine
PubChem CID80931234
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name[6-(3,4-dimethylphenyl)sulfanyl-5-propan-2-ylpyrimidin-4-yl]hydrazine
SMILESCc1ccc(Sc2ncnc(NN)c2C(C)C)cc1C
InChIInChI=1S/C15H20N4S/c1-9(2)13-14(19-16)17-8-18-15(13)20-12-6-5-10(3)11(4)7-12/h5-9H,16H2,1-4H3,(H,17,18,19)
InChIKeyQNYYEGNVPLVIKH-UHFFFAOYSA-N
XLogP3.65
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.65
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

[6-(3,4-difluorophenyl)sulfanyl-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80926034
[6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80923681
[6-[(3-bromo-2-pyridinyl)sulfanyl]-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80929584
4-hydrazinyl-6-(4-methylphenyl)sulfanylpyrimidin-5-amine
CID 19149890
5-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 80930893
6-(3-bromophenyl)sulfanyl-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 80889045
ethyl 2-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)sulfanylacetate
CID 80923701
6-(2-methylphenyl)sulfanyl-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 80873139
[5-bromo-4-(3,4-dimethylphenyl)sulfanylpyrimidin-2-yl]hydrazine
CID 80931159
[5-chloro-4-(3,4-dimethylphenyl)sulfanylpyrimidin-2-yl]hydrazine
CID 80931464
6-hydrazinyl-N,5-di(propan-2-yl)pyrimidin-4-amine
CID 80932454
N-(4-bromo-2-methylphenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
CID 80921013

Frequently Asked Questions

What is the IUPAC name of [6-(3,4-dimethylphenyl)sulfanyl-5-propan-2-ylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(3,4-dimethylphenyl)sulfanyl-5-propan-2-ylpyrimidin-4-yl]hydrazine (CID 80931234) is [6-(3,4-dimethylphenyl)sulfanyl-5-propan-2-ylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(3,4-dimethylphenyl)sulfanyl-5-propan-2-ylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(3,4-dimethylphenyl)sulfanyl-5-propan-2-ylpyrimidin-4-yl]hydrazine is Cc1ccc(Sc2ncnc(NN)c2C(C)C)cc1C.
What is the InChIKey of [6-(3,4-dimethylphenyl)sulfanyl-5-propan-2-ylpyrimidin-4-yl]hydrazine?
The InChIKey is QNYYEGNVPLVIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c1-9(2)13-14(19-16)17-8-18-15(13)20-12-6-5-10(3)11(4)7-12/h5-9H,16H2,1-4H3,(H,17,18,19).
What are the key properties of [6-(3,4-dimethylphenyl)sulfanyl-5-propan-2-ylpyrimidin-4-yl]hydrazine?
[6-(3,4-dimethylphenyl)sulfanyl-5-propan-2-ylpyrimidin-4-yl]hydrazine has a molecular weight of 288.42 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3,4-dimethylphenyl)sulfanyl-5-propan-2-ylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80931234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).