(6-butylsulfanyl-2-methylpyrimidin-4-yl)hydrazine

C9H16N4S — CID 80921659

IUPAC(6-butylsulfanyl-2-methylpyrimidin-4-yl)hydrazine
SMILESCCCCSc1cc(NN)nc(C)n1
InChIInChI=1S/C9H16N4S/c1-3-4-5-14-9-6-8(13-10)11-7(2)12-9/h6H,3-5,10H2,1-2H3,(H,11,12,13)
InChIKeyXAFHYLSERNCUIP-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.96
Rot. Bonds5

About (6-butylsulfanyl-2-methylpyrimidin-4-yl)hydrazine

(6-butylsulfanyl-2-methylpyrimidin-4-yl)hydrazine (PubChem CID 80921659) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is (6-butylsulfanyl-2-methylpyrimidin-4-yl)hydrazine.

Molecular Properties

Compound Name(6-butylsulfanyl-2-methylpyrimidin-4-yl)hydrazine
PubChem CID80921659
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC Name(6-butylsulfanyl-2-methylpyrimidin-4-yl)hydrazine
SMILESCCCCSc1cc(NN)nc(C)n1
InChIInChI=1S/C9H16N4S/c1-3-4-5-14-9-6-8(13-10)11-7(2)12-9/h6H,3-5,10H2,1-2H3,(H,11,12,13)
InChIKeyXAFHYLSERNCUIP-UHFFFAOYSA-N
XLogP1.96
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.96
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-butylsulfanylpyrimidin-4-yl)hydrazine
CID 80921324
ethyl 2-(6-hydrazinyl-2-methylpyrimidin-4-yl)sulfanylacetate
CID 80923704
2-methyl-N-propyl-6-propylsulfanylpyrimidin-4-amine
CID 80886667
(6-pentylsulfanylpyrimidin-4-yl)hydrazine
CID 107766206
[6-(cyclopentylmethylsulfanyl)-2-methylpyrimidin-4-yl]hydrazine
CID 80930090
6-hydrazinyl-2-methyl-N-pentylpyrimidin-4-amine
CID 80932312
[6-[(2-chlorophenyl)methylsulfanyl]-2-methylpyrimidin-4-yl]hydrazine
CID 103291602
[6-(2-butoxyethoxy)-2-methylpyrimidin-4-yl]hydrazine
CID 80909301
4-N-methyl-6-pentylsulfanylpyrimidine-2,4-diamine
CID 107765242
(2,6-dimethylpyrimidin-4-yl)hydrazine
CID 736395
N-(4-butylphenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80895220
[2-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-yl]hydrazine
CID 80922686

Frequently Asked Questions

What is the IUPAC name of (6-butylsulfanyl-2-methylpyrimidin-4-yl)hydrazine?
The IUPAC name of (6-butylsulfanyl-2-methylpyrimidin-4-yl)hydrazine (CID 80921659) is (6-butylsulfanyl-2-methylpyrimidin-4-yl)hydrazine.
What is the SMILES notation for (6-butylsulfanyl-2-methylpyrimidin-4-yl)hydrazine?
The canonical SMILES for (6-butylsulfanyl-2-methylpyrimidin-4-yl)hydrazine is CCCCSc1cc(NN)nc(C)n1.
What is the InChIKey of (6-butylsulfanyl-2-methylpyrimidin-4-yl)hydrazine?
The InChIKey is XAFHYLSERNCUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S/c1-3-4-5-14-9-6-8(13-10)11-7(2)12-9/h6H,3-5,10H2,1-2H3,(H,11,12,13).
What are the key properties of (6-butylsulfanyl-2-methylpyrimidin-4-yl)hydrazine?
(6-butylsulfanyl-2-methylpyrimidin-4-yl)hydrazine has a molecular weight of 212.32 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-butylsulfanyl-2-methylpyrimidin-4-yl)hydrazine is sourced from PubChem (CID 80921659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).