[5-bromo-4-(4-propan-2-ylazepan-1-yl)pyrimidin-2-yl]hydrazine

C13H22BrN5 — CID 80917725

IUPAC[5-bromo-4-(4-propan-2-ylazepan-1-yl)pyrimidin-2-yl]hydrazine
SMILESCC(C)C1CCCN(c2nc(NN)ncc2Br)CC1
InChIInChI=1S/C13H22BrN5/c1-9(2)10-4-3-6-19(7-5-10)12-11(14)8-16-13(17-12)18-15/h8-10H,3-7,15H2,1-2H3,(H,16,17,18)
InChIKeyVGHRCIOZTPLRPS-UHFFFAOYSA-N
MW328.26 g/mol
LogP2.79
Rot. Bonds3

About [5-bromo-4-(4-propan-2-ylazepan-1-yl)pyrimidin-2-yl]hydrazine

[5-bromo-4-(4-propan-2-ylazepan-1-yl)pyrimidin-2-yl]hydrazine (PubChem CID 80917725) has the molecular formula C13H22BrN5 and a molecular weight of 328.26 g/mol. Its IUPAC name is [5-bromo-4-(4-propan-2-ylazepan-1-yl)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[5-bromo-4-(4-propan-2-ylazepan-1-yl)pyrimidin-2-yl]hydrazine
PubChem CID80917725
Molecular FormulaC13H22BrN5
Molecular Weight328.26 g/mol
Exact Mass327.11
IUPAC Name[5-bromo-4-(4-propan-2-ylazepan-1-yl)pyrimidin-2-yl]hydrazine
SMILESCC(C)C1CCCN(c2nc(NN)ncc2Br)CC1
InChIInChI=1S/C13H22BrN5/c1-9(2)10-4-3-6-19(7-5-10)12-11(14)8-16-13(17-12)18-15/h8-10H,3-7,15H2,1-2H3,(H,16,17,18)
InChIKeyVGHRCIOZTPLRPS-UHFFFAOYSA-N
XLogP2.79
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.26
LogP ≤ 52.79
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

[5-bromo-4-(4-ethylpiperidin-1-yl)pyrimidin-2-yl]hydrazine
CID 80896698
[5-bromo-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]hydrazine
CID 80925546
[5-bromo-4-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]hydrazine
CID 80928369
5-bromo-6-(4-propan-2-ylazepan-1-yl)pyridin-3-amine
CID 79535102
[5-bromo-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-yl]hydrazine
CID 80917706
5-bromo-N-ethyl-4-(4-ethylazepan-1-yl)pyrimidin-2-amine
CID 80837449
5-methyl-4-(4-propan-2-ylazepan-1-yl)-N-propylpyrimidin-2-amine
CID 80824205
[5-bromo-4-(3,5-dimethylpiperidin-1-yl)pyrimidin-2-yl]hydrazine
CID 80928074
1-(3-bromo-5-chloro-2-pyridinyl)-4-propan-2-ylazepane
CID 114837143
5-bromo-N-ethyl-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 80767151
[5-fluoro-4-(4-propylazepan-1-yl)pyrimidin-2-yl]hydrazine
CID 80917723
5-chloro-4-(4-propan-2-ylazepan-1-yl)-N-propylpyrimidin-2-amine
CID 80823869

Frequently Asked Questions

What is the IUPAC name of [5-bromo-4-(4-propan-2-ylazepan-1-yl)pyrimidin-2-yl]hydrazine?
The IUPAC name of [5-bromo-4-(4-propan-2-ylazepan-1-yl)pyrimidin-2-yl]hydrazine (CID 80917725) is [5-bromo-4-(4-propan-2-ylazepan-1-yl)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [5-bromo-4-(4-propan-2-ylazepan-1-yl)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [5-bromo-4-(4-propan-2-ylazepan-1-yl)pyrimidin-2-yl]hydrazine is CC(C)C1CCCN(c2nc(NN)ncc2Br)CC1.
What is the InChIKey of [5-bromo-4-(4-propan-2-ylazepan-1-yl)pyrimidin-2-yl]hydrazine?
The InChIKey is VGHRCIOZTPLRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrN5/c1-9(2)10-4-3-6-19(7-5-10)12-11(14)8-16-13(17-12)18-15/h8-10H,3-7,15H2,1-2H3,(H,16,17,18).
What are the key properties of [5-bromo-4-(4-propan-2-ylazepan-1-yl)pyrimidin-2-yl]hydrazine?
[5-bromo-4-(4-propan-2-ylazepan-1-yl)pyrimidin-2-yl]hydrazine has a molecular weight of 328.26 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-4-(4-propan-2-ylazepan-1-yl)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80917725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).