4-hydrazinyl-6-(2-propylpiperidin-1-yl)pyrimidin-2-amine

C12H22N6 — CID 83057547

IUPAC4-hydrazinyl-6-(2-propylpiperidin-1-yl)pyrimidin-2-amine
SMILESCCCC1CCCCN1c1cc(NN)nc(N)n1
InChIInChI=1S/C12H22N6/c1-2-5-9-6-3-4-7-18(9)11-8-10(17-14)15-12(13)16-11/h8-9H,2-7,14H2,1H3,(H3,13,15,16,17)
InChIKeyWTEBCZQYRRQEGG-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.50
Rot. Bonds4

About 4-hydrazinyl-6-(2-propylpiperidin-1-yl)pyrimidin-2-amine

4-hydrazinyl-6-(2-propylpiperidin-1-yl)pyrimidin-2-amine (PubChem CID 83057547) has the molecular formula C12H22N6 and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-hydrazinyl-6-(2-propylpiperidin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-hydrazinyl-6-(2-propylpiperidin-1-yl)pyrimidin-2-amine
PubChem CID83057547
Molecular FormulaC12H22N6
Molecular Weight250.35 g/mol
Exact Mass250.19
IUPAC Name4-hydrazinyl-6-(2-propylpiperidin-1-yl)pyrimidin-2-amine
SMILESCCCC1CCCCN1c1cc(NN)nc(N)n1
InChIInChI=1S/C12H22N6/c1-2-5-9-6-3-4-7-18(9)11-8-10(17-14)15-12(13)16-11/h8-9H,2-7,14H2,1H3,(H3,13,15,16,17)
InChIKeyWTEBCZQYRRQEGG-UHFFFAOYSA-N
XLogP1.50
TPSA93.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.50
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-6-(2-propylpiperidin-1-yl)pyrimidin-2-amine?
The IUPAC name of 4-hydrazinyl-6-(2-propylpiperidin-1-yl)pyrimidin-2-amine (CID 83057547) is 4-hydrazinyl-6-(2-propylpiperidin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-hydrazinyl-6-(2-propylpiperidin-1-yl)pyrimidin-2-amine?
The canonical SMILES for 4-hydrazinyl-6-(2-propylpiperidin-1-yl)pyrimidin-2-amine is CCCC1CCCCN1c1cc(NN)nc(N)n1.
What is the InChIKey of 4-hydrazinyl-6-(2-propylpiperidin-1-yl)pyrimidin-2-amine?
The InChIKey is WTEBCZQYRRQEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6/c1-2-5-9-6-3-4-7-18(9)11-8-10(17-14)15-12(13)16-11/h8-9H,2-7,14H2,1H3,(H3,13,15,16,17).
What are the key properties of 4-hydrazinyl-6-(2-propylpiperidin-1-yl)pyrimidin-2-amine?
4-hydrazinyl-6-(2-propylpiperidin-1-yl)pyrimidin-2-amine has a molecular weight of 250.35 g/mol, XLogP of 1.50, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-6-(2-propylpiperidin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 83057547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).