[6-(2-methoxyphenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine

C15H20N4OS — CID 81001108

IUPAC[6-(2-methoxyphenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine
SMILESCOc1ccccc1Sc1nc(C(C)C)nc(NN)c1C
InChIInChI=1S/C15H20N4OS/c1-9(2)13-17-14(19-16)10(3)15(18-13)21-12-8-6-5-7-11(12)20-4/h5-9H,16H2,1-4H3,(H,17,18,19)
InChIKeyIENSKYNUWYCRIW-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.35
Rot. Bonds5

About [6-(2-methoxyphenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine

[6-(2-methoxyphenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine (PubChem CID 81001108) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is [6-(2-methoxyphenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(2-methoxyphenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine
PubChem CID81001108
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name[6-(2-methoxyphenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine
SMILESCOc1ccccc1Sc1nc(C(C)C)nc(NN)c1C
InChIInChI=1S/C15H20N4OS/c1-9(2)13-17-14(19-16)10(3)15(18-13)21-12-8-6-5-7-11(12)20-4/h5-9H,16H2,1-4H3,(H,17,18,19)
InChIKeyIENSKYNUWYCRIW-UHFFFAOYSA-N
XLogP3.35
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [6-(2-methoxyphenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(2-methoxyphenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine (CID 81001108) is [6-(2-methoxyphenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(2-methoxyphenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(2-methoxyphenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine is COc1ccccc1Sc1nc(C(C)C)nc(NN)c1C.
What is the InChIKey of [6-(2-methoxyphenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine?
The InChIKey is IENSKYNUWYCRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-9(2)13-17-14(19-16)10(3)15(18-13)21-12-8-6-5-7-11(12)20-4/h5-9H,16H2,1-4H3,(H,17,18,19).
What are the key properties of [6-(2-methoxyphenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine?
[6-(2-methoxyphenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine has a molecular weight of 304.42 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-methoxyphenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 81001108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).