[2-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]-6-methylpyrimidin-4-yl]hydrazine

C13H23N5S — CID 107459275

IUPAC[2-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]-6-methylpyrimidin-4-yl]hydrazine
SMILESCc1cc(NN)nc(CN2CCSC(C)(C)CC2)n1
InChIInChI=1S/C13H23N5S/c1-10-8-11(17-14)16-12(15-10)9-18-5-4-13(2,3)19-7-6-18/h8H,4-7,9,14H2,1-3H3,(H,15,16,17)
InChIKeyNVZUVXAPZLGWEQ-UHFFFAOYSA-N
MW281.43 g/mol
LogP1.79
Rot. Bonds3

About [2-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]-6-methylpyrimidin-4-yl]hydrazine

[2-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]-6-methylpyrimidin-4-yl]hydrazine (PubChem CID 107459275) has the molecular formula C13H23N5S and a molecular weight of 281.43 g/mol. Its IUPAC name is [2-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]-6-methylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]-6-methylpyrimidin-4-yl]hydrazine
PubChem CID107459275
Molecular FormulaC13H23N5S
Molecular Weight281.43 g/mol
Exact Mass281.17
IUPAC Name[2-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]-6-methylpyrimidin-4-yl]hydrazine
SMILESCc1cc(NN)nc(CN2CCSC(C)(C)CC2)n1
InChIInChI=1S/C13H23N5S/c1-10-8-11(17-14)16-12(15-10)9-18-5-4-13(2,3)19-7-6-18/h8H,4-7,9,14H2,1-3H3,(H,15,16,17)
InChIKeyNVZUVXAPZLGWEQ-UHFFFAOYSA-N
XLogP1.79
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.43
LogP ≤ 51.79
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-(8-azaspiro[4.5]decan-8-ylmethyl)-6-methylpyrimidin-4-yl]hydrazine
CID 80656533
[2-[(4,4-diethylpiperidin-1-yl)methyl]-6-methylpyrimidin-4-yl]hydrazine
CID 80656441
[2-(azocan-1-ylmethyl)-6-methylpyrimidin-4-yl]hydrazine
CID 80656209
1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-3-methylpyrrolidine-3-carboxamide
CID 114082473
[6-methyl-2-(1,4-oxazepan-4-ylmethyl)pyrimidin-4-yl]hydrazine
CID 80655372
4-methyl-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]piperidin-4-ol
CID 81102789
1-[1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]piperidin-4-yl]-N,N-dimethylmethanamine
CID 80655266
1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-1,4-diazepan-5-one
CID 80655902
6-methyl-N-propyl-2-(thiomorpholin-4-ylmethyl)pyrimidin-4-amine
CID 80657990
[6-methyl-2-[(2-methylmorpholin-4-yl)methyl]pyrimidin-4-yl]hydrazine
CID 80656206
5-chloro-6-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]pyridin-2-amine
CID 107459084
2-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]aniline
CID 107453436

Frequently Asked Questions

What is the IUPAC name of [2-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]-6-methylpyrimidin-4-yl]hydrazine?
The IUPAC name of [2-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]-6-methylpyrimidin-4-yl]hydrazine (CID 107459275) is [2-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]-6-methylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]-6-methylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]-6-methylpyrimidin-4-yl]hydrazine is Cc1cc(NN)nc(CN2CCSC(C)(C)CC2)n1.
What is the InChIKey of [2-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]-6-methylpyrimidin-4-yl]hydrazine?
The InChIKey is NVZUVXAPZLGWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5S/c1-10-8-11(17-14)16-12(15-10)9-18-5-4-13(2,3)19-7-6-18/h8H,4-7,9,14H2,1-3H3,(H,15,16,17).
What are the key properties of [2-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]-6-methylpyrimidin-4-yl]hydrazine?
[2-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]-6-methylpyrimidin-4-yl]hydrazine has a molecular weight of 281.43 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]-6-methylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 107459275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).