(6-butylsulfanylpyrimidin-4-yl)hydrazine

C8H14N4S — CID 80921324

IUPAC(6-butylsulfanylpyrimidin-4-yl)hydrazine
SMILESCCCCSc1cc(NN)ncn1
InChIInChI=1S/C8H14N4S/c1-2-3-4-13-8-5-7(12-9)10-6-11-8/h5-6H,2-4,9H2,1H3,(H,10,11,12)
InChIKeyTZYRXQBJOPHHPE-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.65
Rot. Bonds5

About (6-butylsulfanylpyrimidin-4-yl)hydrazine

(6-butylsulfanylpyrimidin-4-yl)hydrazine (PubChem CID 80921324) has the molecular formula C8H14N4S and a molecular weight of 198.29 g/mol. Its IUPAC name is (6-butylsulfanylpyrimidin-4-yl)hydrazine.

Molecular Properties

Compound Name(6-butylsulfanylpyrimidin-4-yl)hydrazine
PubChem CID80921324
Molecular FormulaC8H14N4S
Molecular Weight198.29 g/mol
Exact Mass198.09
IUPAC Name(6-butylsulfanylpyrimidin-4-yl)hydrazine
SMILESCCCCSc1cc(NN)ncn1
InChIInChI=1S/C8H14N4S/c1-2-3-4-13-8-5-7(12-9)10-6-11-8/h5-6H,2-4,9H2,1H3,(H,10,11,12)
InChIKeyTZYRXQBJOPHHPE-UHFFFAOYSA-N
XLogP1.65
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(6-pentylsulfanylpyrimidin-4-yl)hydrazine
CID 107766206
(6-butylsulfanyl-2-methylpyrimidin-4-yl)hydrazine
CID 80921659
3-[6-(methylamino)pyrimidin-4-yl]sulfanylpropan-1-ol
CID 80891464
2-[6-(propylamino)pyrimidin-4-yl]sulfanylethanol
CID 80885147
N-(2,2-dimethylheptyl)-6-hydrazinylpyrimidin-4-amine
CID 80926441
6-(2-methoxyethylsulfanyl)-N-methylpyrimidin-4-amine
CID 80884045
N-(4-butylphenyl)-6-hydrazinylpyrimidin-4-amine
CID 80895038
ethyl 3-[6-[(2-ethoxy-2-oxoacetyl)amino]pyrimidin-4-yl]sulfanylpropanoate
CID 3058459
6-hydrazinyl-N,N-dipropylpyrimidin-4-amine
CID 80932802
4-N-methyl-6-pentylsulfanylpyrimidine-2,4-diamine
CID 107765242
(6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine
CID 80926498
4-(3-chloropropylsulfanyl)-6-methylpyrimidine
CID 66126132

Frequently Asked Questions

What is the IUPAC name of (6-butylsulfanylpyrimidin-4-yl)hydrazine?
The IUPAC name of (6-butylsulfanylpyrimidin-4-yl)hydrazine (CID 80921324) is (6-butylsulfanylpyrimidin-4-yl)hydrazine.
What is the SMILES notation for (6-butylsulfanylpyrimidin-4-yl)hydrazine?
The canonical SMILES for (6-butylsulfanylpyrimidin-4-yl)hydrazine is CCCCSc1cc(NN)ncn1.
What is the InChIKey of (6-butylsulfanylpyrimidin-4-yl)hydrazine?
The InChIKey is TZYRXQBJOPHHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4S/c1-2-3-4-13-8-5-7(12-9)10-6-11-8/h5-6H,2-4,9H2,1H3,(H,10,11,12).
What are the key properties of (6-butylsulfanylpyrimidin-4-yl)hydrazine?
(6-butylsulfanylpyrimidin-4-yl)hydrazine has a molecular weight of 198.29 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-butylsulfanylpyrimidin-4-yl)hydrazine is sourced from PubChem (CID 80921324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).