[(6-methoxypyrimidin-4-yl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine

C13H22N4O3S — CID 102953369

IUPAC[(6-methoxypyrimidin-4-yl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
SMILESCOc1cc(C(NN)C2CCCC(S(C)(=O)=O)C2)ncn1
InChIInChI=1S/C13H22N4O3S/c1-20-12-7-11(15-8-16-12)13(17-14)9-4-3-5-10(6-9)21(2,18)19/h7-10,13,17H,3-6,14H2,1-2H3
InChIKeyBERXPESFBISQRB-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.59
Rot. Bonds5

About [(6-methoxypyrimidin-4-yl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine

[(6-methoxypyrimidin-4-yl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine (PubChem CID 102953369) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is [(6-methoxypyrimidin-4-yl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine.

Molecular Properties

Compound Name[(6-methoxypyrimidin-4-yl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
PubChem CID102953369
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC Name[(6-methoxypyrimidin-4-yl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
SMILESCOc1cc(C(NN)C2CCCC(S(C)(=O)=O)C2)ncn1
InChIInChI=1S/C13H22N4O3S/c1-20-12-7-11(15-8-16-12)13(17-14)9-4-3-5-10(6-9)21(2,18)19/h7-10,13,17H,3-6,14H2,1-2H3
InChIKeyBERXPESFBISQRB-UHFFFAOYSA-N
XLogP0.59
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-methoxypyrimidin-4-yl)-(3-methylsulfonylcyclohexyl)methanamine
CID 102950649
[cycloheptyl-(6-methoxypyrimidin-4-yl)methyl]hydrazine
CID 102953192
[(3-methylsulfonylcyclohexyl)-pyrazin-2-ylmethyl]hydrazine
CID 105203403
[(5-methyl-3-pyridinyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 105324276
[(1-methylimidazol-4-yl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 107979287
[(3-methylsulfonylcyclohexyl)-pyrimidin-5-ylmethyl]hydrazine
CID 102924262
[(3,5-difluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 105207898
(6-methoxypyrimidin-4-yl)-(3-methylsulfonylcyclohexyl)methanone
CID 102950080
[(3-methylphenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 105200776
[(3,5-dichloro-2-pyridinyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 105248750
[(3-bromo-5-methylphenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 105324194
[(2-chloro-4-methylphenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 106860095

Frequently Asked Questions

What is the IUPAC name of [(6-methoxypyrimidin-4-yl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine?
The IUPAC name of [(6-methoxypyrimidin-4-yl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine (CID 102953369) is [(6-methoxypyrimidin-4-yl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine.
What is the SMILES notation for [(6-methoxypyrimidin-4-yl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine?
The canonical SMILES for [(6-methoxypyrimidin-4-yl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine is COc1cc(C(NN)C2CCCC(S(C)(=O)=O)C2)ncn1.
What is the InChIKey of [(6-methoxypyrimidin-4-yl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine?
The InChIKey is BERXPESFBISQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-20-12-7-11(15-8-16-12)13(17-14)9-4-3-5-10(6-9)21(2,18)19/h7-10,13,17H,3-6,14H2,1-2H3.
What are the key properties of [(6-methoxypyrimidin-4-yl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine?
[(6-methoxypyrimidin-4-yl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine has a molecular weight of 314.41 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(6-methoxypyrimidin-4-yl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine is sourced from PubChem (CID 102953369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).