4-hydrazinyl-N-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine

C13H15N5 — CID 94672736

IUPAC4-hydrazinyl-N-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
SMILESNNc1nc(Nc2ccccc2)nc2c1CCC2
InChIInChI=1S/C13H15N5/c14-18-12-10-7-4-8-11(10)16-13(17-12)15-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8,14H2,(H2,15,16,17,18)
InChIKeyGXHPMRHJPRJRQY-UHFFFAOYSA-N
MW241.30 g/mol
LogP1.99
Rot. Bonds3

About 4-hydrazinyl-N-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine

4-hydrazinyl-N-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine (PubChem CID 94672736) has the molecular formula C13H15N5 and a molecular weight of 241.30 g/mol. Its IUPAC name is 4-hydrazinyl-N-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-hydrazinyl-N-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
PubChem CID94672736
Molecular FormulaC13H15N5
Molecular Weight241.30 g/mol
Exact Mass241.13
IUPAC Name4-hydrazinyl-N-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
SMILESNNc1nc(Nc2ccccc2)nc2c1CCC2
InChIInChI=1S/C13H15N5/c14-18-12-10-7-4-8-11(10)16-13(17-12)15-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8,14H2,(H2,15,16,17,18)
InChIKeyGXHPMRHJPRJRQY-UHFFFAOYSA-N
XLogP1.99
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 51.99
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-N-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine?
The IUPAC name of 4-hydrazinyl-N-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine (CID 94672736) is 4-hydrazinyl-N-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine.
What is the SMILES notation for 4-hydrazinyl-N-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine?
The canonical SMILES for 4-hydrazinyl-N-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine is NNc1nc(Nc2ccccc2)nc2c1CCC2.
What is the InChIKey of 4-hydrazinyl-N-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine?
The InChIKey is GXHPMRHJPRJRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5/c14-18-12-10-7-4-8-11(10)16-13(17-12)15-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8,14H2,(H2,15,16,17,18).
What are the key properties of 4-hydrazinyl-N-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine?
4-hydrazinyl-N-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine has a molecular weight of 241.30 g/mol, XLogP of 1.99, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-N-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine is sourced from PubChem (CID 94672736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).