[6-(azepan-1-yl)pyrimidin-4-yl]hydrazine

C10H17N5 — CID 80927859

IUPAC[6-(azepan-1-yl)pyrimidin-4-yl]hydrazine
SMILESNNc1cc(N2CCCCCC2)ncn1
InChIInChI=1S/C10H17N5/c11-14-9-7-10(13-8-12-9)15-5-3-1-2-4-6-15/h7-8H,1-6,11H2,(H,12,13,14)
InChIKeyXQFRSGXBFAXSKY-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.14
Rot. Bonds2

About [6-(azepan-1-yl)pyrimidin-4-yl]hydrazine

[6-(azepan-1-yl)pyrimidin-4-yl]hydrazine (PubChem CID 80927859) has the molecular formula C10H17N5 and a molecular weight of 207.28 g/mol. Its IUPAC name is [6-(azepan-1-yl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(azepan-1-yl)pyrimidin-4-yl]hydrazine
PubChem CID80927859
Molecular FormulaC10H17N5
Molecular Weight207.28 g/mol
Exact Mass207.15
IUPAC Name[6-(azepan-1-yl)pyrimidin-4-yl]hydrazine
SMILESNNc1cc(N2CCCCCC2)ncn1
InChIInChI=1S/C10H17N5/c11-14-9-7-10(13-8-12-9)15-5-3-1-2-4-6-15/h7-8H,1-6,11H2,(H,12,13,14)
InChIKeyXQFRSGXBFAXSKY-UHFFFAOYSA-N
XLogP1.14
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.14
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

1-(6-piperidin-1-ylpyrimidin-4-yl)azepane
CID 112856077
N-hydrazinyl-N-[(6-piperidin-1-ylpyrimidin-4-yl)amino]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 90800541
[6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]hydrazine
CID 80909931
[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]hydrazine
CID 80914226
6-hydrazinyl-N-piperidin-1-ylpyrimidin-4-amine
CID 83027875
6-piperidin-1-yl-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 112856096
[6-(3-ethoxypiperidin-1-yl)pyrimidin-4-yl]hydrazine
CID 80905232
[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyrimidin-4-yl]hydrazine
CID 80929365
[6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-4-yl]hydrazine
CID 80909400
N-(6-piperidin-1-ylpyrimidin-4-yl)cyclopentanecarboxamide
CID 90544433
trans-(1S,2S)-2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]cyclohexan-1-ol
CID 133495426
[6-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-4-yl]hydrazine
CID 102746712

Frequently Asked Questions

What is the IUPAC name of [6-(azepan-1-yl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(azepan-1-yl)pyrimidin-4-yl]hydrazine (CID 80927859) is [6-(azepan-1-yl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(azepan-1-yl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(azepan-1-yl)pyrimidin-4-yl]hydrazine is NNc1cc(N2CCCCCC2)ncn1.
What is the InChIKey of [6-(azepan-1-yl)pyrimidin-4-yl]hydrazine?
The InChIKey is XQFRSGXBFAXSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5/c11-14-9-7-10(13-8-12-9)15-5-3-1-2-4-6-15/h7-8H,1-6,11H2,(H,12,13,14).
What are the key properties of [6-(azepan-1-yl)pyrimidin-4-yl]hydrazine?
[6-(azepan-1-yl)pyrimidin-4-yl]hydrazine has a molecular weight of 207.28 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(azepan-1-yl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80927859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).