[6-tert-butyl-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-4-yl]hydrazine

C13H22N4S2 — CID 115388699

IUPAC[6-tert-butyl-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-4-yl]hydrazine
SMILESCC1SCCSC1c1nc(NN)cc(C(C)(C)C)n1
InChIInChI=1S/C13H22N4S2/c1-8-11(19-6-5-18-8)12-15-9(13(2,3)4)7-10(16-12)17-14/h7-8,11H,5-6,14H2,1-4H3,(H,15,16,17)
InChIKeyINXAPTBGLMURSC-UHFFFAOYSA-N
MW298.48 g/mol
LogP2.97
Rot. Bonds2

About [6-tert-butyl-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-4-yl]hydrazine

[6-tert-butyl-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-4-yl]hydrazine (PubChem CID 115388699) has the molecular formula C13H22N4S2 and a molecular weight of 298.48 g/mol. Its IUPAC name is [6-tert-butyl-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-tert-butyl-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-4-yl]hydrazine
PubChem CID115388699
Molecular FormulaC13H22N4S2
Molecular Weight298.48 g/mol
Exact Mass298.13
IUPAC Name[6-tert-butyl-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-4-yl]hydrazine
SMILESCC1SCCSC1c1nc(NN)cc(C(C)(C)C)n1
InChIInChI=1S/C13H22N4S2/c1-8-11(19-6-5-18-8)12-15-9(13(2,3)4)7-10(16-12)17-14/h7-8,11H,5-6,14H2,1-4H3,(H,15,16,17)
InChIKeyINXAPTBGLMURSC-UHFFFAOYSA-N
XLogP2.97
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.48
LogP ≤ 52.97
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

4-tert-butyl-6-chloro-2-(3-methyl-1,4-dithian-2-yl)pyrimidine
CID 113299212
[6-tert-butyl-2-(1,4-dimethylpiperazin-2-yl)pyrimidin-4-yl]hydrazine
CID 79667141
5-bromo-6-tert-butyl-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-4-amine
CID 115388594
[6-tert-butyl-2-(oxan-3-yl)pyrimidin-4-yl]hydrazine
CID 63739487
4-tert-butyl-6-chloro-2-(3-ethyl-1,4-dithian-2-yl)pyrimidine
CID 113299211
[6-tert-butyl-2-(4,5-dibromofuran-2-yl)pyrimidin-4-yl]hydrazine
CID 62251107
[2-(5-bromofuran-2-yl)-6-tert-butylpyrimidin-4-yl]hydrazine
CID 62252786
[6-tert-butyl-2-[cyclohexyl(methoxy)methyl]pyrimidin-4-yl]hydrazine
CID 116777556
(6-tert-butyl-2-thiophen-3-ylpyrimidin-4-yl)hydrazine
CID 62252923
[2-(2-bromophenyl)-6-tert-butylpyrimidin-4-yl]hydrazine
CID 62251429
2-methyl-2-[3-(3-methyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 113308056
2-[3-(3-methyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 115384970

Frequently Asked Questions

What is the IUPAC name of [6-tert-butyl-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-tert-butyl-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-4-yl]hydrazine (CID 115388699) is [6-tert-butyl-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-tert-butyl-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-tert-butyl-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-4-yl]hydrazine is CC1SCCSC1c1nc(NN)cc(C(C)(C)C)n1.
What is the InChIKey of [6-tert-butyl-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-4-yl]hydrazine?
The InChIKey is INXAPTBGLMURSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4S2/c1-8-11(19-6-5-18-8)12-15-9(13(2,3)4)7-10(16-12)17-14/h7-8,11H,5-6,14H2,1-4H3,(H,15,16,17).
What are the key properties of [6-tert-butyl-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-4-yl]hydrazine?
[6-tert-butyl-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-4-yl]hydrazine has a molecular weight of 298.48 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-tert-butyl-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 115388699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).