[2-(azepan-1-yl)-6-propan-2-ylpyrimidin-4-yl]hydrazine

C13H23N5 — CID 62250697

IUPAC[2-(azepan-1-yl)-6-propan-2-ylpyrimidin-4-yl]hydrazine
SMILESCC(C)c1cc(NN)nc(N2CCCCCC2)n1
InChIInChI=1S/C13H23N5/c1-10(2)11-9-12(17-14)16-13(15-11)18-7-5-3-4-6-8-18/h9-10H,3-8,14H2,1-2H3,(H,15,16,17)
InChIKeyMCMZGOBZCCJDKW-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.27
Rot. Bonds3

About [2-(azepan-1-yl)-6-propan-2-ylpyrimidin-4-yl]hydrazine

[2-(azepan-1-yl)-6-propan-2-ylpyrimidin-4-yl]hydrazine (PubChem CID 62250697) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is [2-(azepan-1-yl)-6-propan-2-ylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(azepan-1-yl)-6-propan-2-ylpyrimidin-4-yl]hydrazine
PubChem CID62250697
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name[2-(azepan-1-yl)-6-propan-2-ylpyrimidin-4-yl]hydrazine
SMILESCC(C)c1cc(NN)nc(N2CCCCCC2)n1
InChIInChI=1S/C13H23N5/c1-10(2)11-9-12(17-14)16-13(15-11)18-7-5-3-4-6-8-18/h9-10H,3-8,14H2,1-2H3,(H,15,16,17)
InChIKeyMCMZGOBZCCJDKW-UHFFFAOYSA-N
XLogP2.27
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.27
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

N-methyl-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 62192524
2-(azetidin-1-yl)-4,6-di(propan-2-yl)pyrimidine
CID 122532873
2-(azetidin-1-yl)-N-(azetidin-3-yl)-6-propan-2-ylpyrimidin-4-amine
CID 144655724
[6-(4-methylphenyl)-2-pyrrolidin-1-ylpyrimidin-4-yl]hydrazine
CID 94672776
2-piperidin-1-yl-6-propan-2-yl-N-propylpyrimidine-4-carboxamide
CID 71830697
2-(azepan-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)-6-propan-2-ylpyrimidine-4-carboxamide
CID 91945584
6-hydrazinyl-N-piperidin-1-yl-2-propan-2-ylpyrimidin-4-amine
CID 83027793
N-(oxetan-3-yl)-2-piperazin-1-yl-6-propan-2-ylpyrimidin-4-amine
CID 118617228
N-(5-methyl-1,2-oxazol-3-yl)-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 71830560
1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)-1,4-diazepane
CID 55204902
6-ethyl-N-methyl-2-piperidin-1-ylpyrimidin-4-amine
CID 62192871
1-[4-[4-(azetidin-3-ylamino)-6-propan-2-ylpyrimidin-2-yl]piperazin-1-yl]ethanone
CID 90245510

Frequently Asked Questions

What is the IUPAC name of [2-(azepan-1-yl)-6-propan-2-ylpyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(azepan-1-yl)-6-propan-2-ylpyrimidin-4-yl]hydrazine (CID 62250697) is [2-(azepan-1-yl)-6-propan-2-ylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(azepan-1-yl)-6-propan-2-ylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(azepan-1-yl)-6-propan-2-ylpyrimidin-4-yl]hydrazine is CC(C)c1cc(NN)nc(N2CCCCCC2)n1.
What is the InChIKey of [2-(azepan-1-yl)-6-propan-2-ylpyrimidin-4-yl]hydrazine?
The InChIKey is MCMZGOBZCCJDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-10(2)11-9-12(17-14)16-13(15-11)18-7-5-3-4-6-8-18/h9-10H,3-8,14H2,1-2H3,(H,15,16,17).
What are the key properties of [2-(azepan-1-yl)-6-propan-2-ylpyrimidin-4-yl]hydrazine?
[2-(azepan-1-yl)-6-propan-2-ylpyrimidin-4-yl]hydrazine has a molecular weight of 249.36 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(azepan-1-yl)-6-propan-2-ylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 62250697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).