(6-butan-2-ylsulfanyl-2,5-dimethylpyrimidin-4-yl)hydrazine

C10H18N4S — CID 80925464

IUPAC(6-butan-2-ylsulfanyl-2,5-dimethylpyrimidin-4-yl)hydrazine
SMILESCCC(C)Sc1nc(C)nc(NN)c1C
InChIInChI=1S/C10H18N4S/c1-5-6(2)15-10-7(3)9(14-11)12-8(4)13-10/h6H,5,11H2,1-4H3,(H,12,13,14)
InChIKeyNYLQDTVAAYBSIN-UHFFFAOYSA-N
MW226.35 g/mol
LogP2.27
Rot. Bonds4

About (6-butan-2-ylsulfanyl-2,5-dimethylpyrimidin-4-yl)hydrazine

(6-butan-2-ylsulfanyl-2,5-dimethylpyrimidin-4-yl)hydrazine (PubChem CID 80925464) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is (6-butan-2-ylsulfanyl-2,5-dimethylpyrimidin-4-yl)hydrazine.

Molecular Properties

Compound Name(6-butan-2-ylsulfanyl-2,5-dimethylpyrimidin-4-yl)hydrazine
PubChem CID80925464
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC Name(6-butan-2-ylsulfanyl-2,5-dimethylpyrimidin-4-yl)hydrazine
SMILESCCC(C)Sc1nc(C)nc(NN)c1C
InChIInChI=1S/C10H18N4S/c1-5-6(2)15-10-7(3)9(14-11)12-8(4)13-10/h6H,5,11H2,1-4H3,(H,12,13,14)
InChIKeyNYLQDTVAAYBSIN-UHFFFAOYSA-N
XLogP2.27
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 52.27
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-ethylsulfanyl-2,5-dimethylpyrimidin-4-yl)hydrazine
CID 80925717
(6-tert-butylsulfanyl-2,5-dimethylpyrimidin-4-yl)hydrazine
CID 80924800
6-hydrazinyl-2,5-dimethyl-N-(2-methylbutyl)pyrimidin-4-amine
CID 80918838
(6-cyclopentylsulfanyl-2,5-dimethylpyrimidin-4-yl)hydrazine
CID 80929974
6-butan-2-ylsulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80991295
[6-(cyclopentylmethylsulfanyl)-2,5-dimethylpyrimidin-4-yl]hydrazine
CID 80930091
[2-ethyl-5-methyl-6-(2-methylbutylsulfanyl)pyrimidin-4-yl]hydrazine
CID 107766327
2-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide
CID 113405792
[5-methyl-6-(2-methylbutylsulfanyl)-2-propylpyrimidin-4-yl]hydrazine
CID 107766364
6-hydrazinyl-N-(1-methoxybutan-2-yl)-2,5-dimethylpyrimidin-4-amine
CID 80918272
N-(1-ethoxypropan-2-yl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
CID 80903132
6-hydrazinyl-2,5-dimethyl-N-octan-2-ylpyrimidin-4-amine
CID 80897483

Frequently Asked Questions

What is the IUPAC name of (6-butan-2-ylsulfanyl-2,5-dimethylpyrimidin-4-yl)hydrazine?
The IUPAC name of (6-butan-2-ylsulfanyl-2,5-dimethylpyrimidin-4-yl)hydrazine (CID 80925464) is (6-butan-2-ylsulfanyl-2,5-dimethylpyrimidin-4-yl)hydrazine.
What is the SMILES notation for (6-butan-2-ylsulfanyl-2,5-dimethylpyrimidin-4-yl)hydrazine?
The canonical SMILES for (6-butan-2-ylsulfanyl-2,5-dimethylpyrimidin-4-yl)hydrazine is CCC(C)Sc1nc(C)nc(NN)c1C.
What is the InChIKey of (6-butan-2-ylsulfanyl-2,5-dimethylpyrimidin-4-yl)hydrazine?
The InChIKey is NYLQDTVAAYBSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-5-6(2)15-10-7(3)9(14-11)12-8(4)13-10/h6H,5,11H2,1-4H3,(H,12,13,14).
What are the key properties of (6-butan-2-ylsulfanyl-2,5-dimethylpyrimidin-4-yl)hydrazine?
(6-butan-2-ylsulfanyl-2,5-dimethylpyrimidin-4-yl)hydrazine has a molecular weight of 226.35 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-butan-2-ylsulfanyl-2,5-dimethylpyrimidin-4-yl)hydrazine is sourced from PubChem (CID 80925464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).