[2-cyclopropyl-6-(4-methylazepan-1-yl)pyrimidin-4-yl]hydrazine

C14H23N5 — CID 80969166

IUPAC[2-cyclopropyl-6-(4-methylazepan-1-yl)pyrimidin-4-yl]hydrazine
SMILESCC1CCCN(c2cc(NN)nc(C3CC3)n2)CC1
InChIInChI=1S/C14H23N5/c1-10-3-2-7-19(8-6-10)13-9-12(18-15)16-14(17-13)11-4-5-11/h9-11H,2-8,15H2,1H3,(H,16,17,18)
InChIKeyRXJRDIPMOWBUDA-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.27
Rot. Bonds3

About [2-cyclopropyl-6-(4-methylazepan-1-yl)pyrimidin-4-yl]hydrazine

[2-cyclopropyl-6-(4-methylazepan-1-yl)pyrimidin-4-yl]hydrazine (PubChem CID 80969166) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is [2-cyclopropyl-6-(4-methylazepan-1-yl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-cyclopropyl-6-(4-methylazepan-1-yl)pyrimidin-4-yl]hydrazine
PubChem CID80969166
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name[2-cyclopropyl-6-(4-methylazepan-1-yl)pyrimidin-4-yl]hydrazine
SMILESCC1CCCN(c2cc(NN)nc(C3CC3)n2)CC1
InChIInChI=1S/C14H23N5/c1-10-3-2-7-19(8-6-10)13-9-12(18-15)16-14(17-13)11-4-5-11/h9-11H,2-8,15H2,1H3,(H,16,17,18)
InChIKeyRXJRDIPMOWBUDA-UHFFFAOYSA-N
XLogP2.27
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
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

1-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)piperidin-4-ol
CID 80968717
[2-cyclopropyl-6-(4,4-dimethylazepan-1-yl)pyrimidin-4-yl]hydrazine
CID 80968250
(2-cyclopropyl-6-piperazin-1-ylpyrimidin-4-yl)hydrazine
CID 80968466
1-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-4-methylpiperidin-4-ol
CID 81109226
[2-cyclopropyl-6-(2-propan-2-ylpyrrolidin-1-yl)pyrimidin-4-yl]hydrazine
CID 80969506
[2-cyclopropyl-6-(4-ethyl-3-methylpiperazin-1-yl)pyrimidin-4-yl]hydrazine
CID 80968558
2-cyclopropyl-6-(4-ethylazepan-1-yl)-N-methylpyrimidin-4-amine
CID 80959321
4-chloro-2-cyclopropyl-6-[(3R)-3-methylpiperidin-1-yl]pyrimidine
CID 129380887
2-cyclopropyl-6-(4-propan-2-ylazepan-1-yl)pyrimidin-4-amine
CID 80959750
[2-cyclopropyl-6-(2-propylpiperidin-1-yl)pyrimidin-4-yl]hydrazine
CID 83056734
2-cyclopropyl-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 80955969
[2-cyclopropyl-6-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrimidin-4-yl]hydrazine
CID 80969657

Frequently Asked Questions

What is the IUPAC name of [2-cyclopropyl-6-(4-methylazepan-1-yl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-cyclopropyl-6-(4-methylazepan-1-yl)pyrimidin-4-yl]hydrazine (CID 80969166) is [2-cyclopropyl-6-(4-methylazepan-1-yl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-cyclopropyl-6-(4-methylazepan-1-yl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-cyclopropyl-6-(4-methylazepan-1-yl)pyrimidin-4-yl]hydrazine is CC1CCCN(c2cc(NN)nc(C3CC3)n2)CC1.
What is the InChIKey of [2-cyclopropyl-6-(4-methylazepan-1-yl)pyrimidin-4-yl]hydrazine?
The InChIKey is RXJRDIPMOWBUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-10-3-2-7-19(8-6-10)13-9-12(18-15)16-14(17-13)11-4-5-11/h9-11H,2-8,15H2,1H3,(H,16,17,18).
What are the key properties of [2-cyclopropyl-6-(4-methylazepan-1-yl)pyrimidin-4-yl]hydrazine?
[2-cyclopropyl-6-(4-methylazepan-1-yl)pyrimidin-4-yl]hydrazine has a molecular weight of 261.37 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-cyclopropyl-6-(4-methylazepan-1-yl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80969166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).