[2-tert-butyl-6-(furan-2-ylmethylsulfanyl)pyrimidin-4-yl]hydrazine

C13H18N4OS — CID 80979577

IUPAC[2-tert-butyl-6-(furan-2-ylmethylsulfanyl)pyrimidin-4-yl]hydrazine
SMILESCC(C)(C)c1nc(NN)cc(SCc2ccco2)n1
InChIInChI=1S/C13H18N4OS/c1-13(2,3)12-15-10(17-14)7-11(16-12)19-8-9-5-4-6-18-9/h4-7H,8,14H2,1-3H3,(H,15,16,17)
InChIKeyKQSNDYJBLOJXFK-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.94
Rot. Bonds4

About [2-tert-butyl-6-(furan-2-ylmethylsulfanyl)pyrimidin-4-yl]hydrazine

[2-tert-butyl-6-(furan-2-ylmethylsulfanyl)pyrimidin-4-yl]hydrazine (PubChem CID 80979577) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is [2-tert-butyl-6-(furan-2-ylmethylsulfanyl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-tert-butyl-6-(furan-2-ylmethylsulfanyl)pyrimidin-4-yl]hydrazine
PubChem CID80979577
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name[2-tert-butyl-6-(furan-2-ylmethylsulfanyl)pyrimidin-4-yl]hydrazine
SMILESCC(C)(C)c1nc(NN)cc(SCc2ccco2)n1
InChIInChI=1S/C13H18N4OS/c1-13(2,3)12-15-10(17-14)7-11(16-12)19-8-9-5-4-6-18-9/h4-7H,8,14H2,1-3H3,(H,15,16,17)
InChIKeyKQSNDYJBLOJXFK-UHFFFAOYSA-N
XLogP2.94
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

2-tert-butyl-N-[2-(furan-2-yl)ethyl]-6-hydrazinylpyrimidin-4-amine
CID 80964340
[2-(ethoxymethyl)-6-(furan-2-ylmethylsulfanyl)pyrimidin-4-yl]hydrazine
CID 113402000
N-ethyl-6-(furan-2-ylmethylsulfanyl)-2-methylsulfanylpyrimidin-4-amine
CID 80893554
(2-tert-butyl-6-methylsulfanylpyrimidin-4-yl)hydrazine
CID 80979490
2-tert-butyl-6-(furan-2-ylmethylsulfanyl)-N,5-dimethylpyrimidin-4-amine
CID 80991282
2-tert-butyl-6-[(2-chlorophenyl)methylsulfanyl]-N-methylpyrimidin-4-amine
CID 103291531
[2-tert-butyl-6-(2-methylsulfonylethylsulfanyl)pyrimidin-4-yl]hydrazine
CID 80979482
[2-tert-butyl-6-(1,3-oxazol-2-ylsulfanyl)pyrimidin-4-yl]hydrazine
CID 106928804
N-ethyl-4-(furan-2-ylmethylsulfanyl)-6-methylpyrimidin-2-amine
CID 80893163
2-tert-butyl-4-N-[2-(furan-2-yl)ethyl]-6-N-methylpyrimidine-4,6-diamine
CID 80960709
4-chloro-6-(furan-2-ylmethylsulfanyl)-2-methylsulfanylpyrimidine
CID 80545886
(2-tert-butyl-6-thiophen-2-ylsulfanylpyrimidin-4-yl)hydrazine
CID 80979287

Frequently Asked Questions

What is the IUPAC name of [2-tert-butyl-6-(furan-2-ylmethylsulfanyl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-tert-butyl-6-(furan-2-ylmethylsulfanyl)pyrimidin-4-yl]hydrazine (CID 80979577) is [2-tert-butyl-6-(furan-2-ylmethylsulfanyl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-tert-butyl-6-(furan-2-ylmethylsulfanyl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-tert-butyl-6-(furan-2-ylmethylsulfanyl)pyrimidin-4-yl]hydrazine is CC(C)(C)c1nc(NN)cc(SCc2ccco2)n1.
What is the InChIKey of [2-tert-butyl-6-(furan-2-ylmethylsulfanyl)pyrimidin-4-yl]hydrazine?
The InChIKey is KQSNDYJBLOJXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-13(2,3)12-15-10(17-14)7-11(16-12)19-8-9-5-4-6-18-9/h4-7H,8,14H2,1-3H3,(H,15,16,17).
What are the key properties of [2-tert-butyl-6-(furan-2-ylmethylsulfanyl)pyrimidin-4-yl]hydrazine?
[2-tert-butyl-6-(furan-2-ylmethylsulfanyl)pyrimidin-4-yl]hydrazine has a molecular weight of 278.38 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-tert-butyl-6-(furan-2-ylmethylsulfanyl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80979577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).