(6-pentylsulfanylpyrimidin-4-yl)hydrazine

C9H16N4S — CID 107766206

IUPAC(6-pentylsulfanylpyrimidin-4-yl)hydrazine
SMILESCCCCCSc1cc(NN)ncn1
InChIInChI=1S/C9H16N4S/c1-2-3-4-5-14-9-6-8(13-10)11-7-12-9/h6-7H,2-5,10H2,1H3,(H,11,12,13)
InChIKeyNLZIQKIHYBRYPC-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.04
Rot. Bonds6

About (6-pentylsulfanylpyrimidin-4-yl)hydrazine

(6-pentylsulfanylpyrimidin-4-yl)hydrazine (PubChem CID 107766206) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is (6-pentylsulfanylpyrimidin-4-yl)hydrazine.

Molecular Properties

Compound Name(6-pentylsulfanylpyrimidin-4-yl)hydrazine
PubChem CID107766206
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC Name(6-pentylsulfanylpyrimidin-4-yl)hydrazine
SMILESCCCCCSc1cc(NN)ncn1
InChIInChI=1S/C9H16N4S/c1-2-3-4-5-14-9-6-8(13-10)11-7-12-9/h6-7H,2-5,10H2,1H3,(H,11,12,13)
InChIKeyNLZIQKIHYBRYPC-UHFFFAOYSA-N
XLogP2.04
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 52.04
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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Frequently Asked Questions

What is the IUPAC name of (6-pentylsulfanylpyrimidin-4-yl)hydrazine?
The IUPAC name of (6-pentylsulfanylpyrimidin-4-yl)hydrazine (CID 107766206) is (6-pentylsulfanylpyrimidin-4-yl)hydrazine.
What is the SMILES notation for (6-pentylsulfanylpyrimidin-4-yl)hydrazine?
The canonical SMILES for (6-pentylsulfanylpyrimidin-4-yl)hydrazine is CCCCCSc1cc(NN)ncn1.
What is the InChIKey of (6-pentylsulfanylpyrimidin-4-yl)hydrazine?
The InChIKey is NLZIQKIHYBRYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S/c1-2-3-4-5-14-9-6-8(13-10)11-7-12-9/h6-7H,2-5,10H2,1H3,(H,11,12,13).
What are the key properties of (6-pentylsulfanylpyrimidin-4-yl)hydrazine?
(6-pentylsulfanylpyrimidin-4-yl)hydrazine has a molecular weight of 212.32 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-pentylsulfanylpyrimidin-4-yl)hydrazine is sourced from PubChem (CID 107766206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).