6-hydrazinyl-2-phenyl-N-(thiolan-3-ylmethyl)pyrimidin-4-amine

C15H19N5S — CID 107298890

IUPAC6-hydrazinyl-2-phenyl-N-(thiolan-3-ylmethyl)pyrimidin-4-amine
SMILESNNc1cc(NCC2CCSC2)nc(-c2ccccc2)n1
InChIInChI=1S/C15H19N5S/c16-20-14-8-13(17-9-11-6-7-21-10-11)18-15(19-14)12-4-2-1-3-5-12/h1-5,8,11H,6-7,9-10,16H2,(H2,17,18,19,20)
InChIKeyOVLISILWPYQWTF-UHFFFAOYSA-N
MW301.42 g/mol
LogP2.59
Rot. Bonds5

About 6-hydrazinyl-2-phenyl-N-(thiolan-3-ylmethyl)pyrimidin-4-amine

6-hydrazinyl-2-phenyl-N-(thiolan-3-ylmethyl)pyrimidin-4-amine (PubChem CID 107298890) has the molecular formula C15H19N5S and a molecular weight of 301.42 g/mol. Its IUPAC name is 6-hydrazinyl-2-phenyl-N-(thiolan-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-2-phenyl-N-(thiolan-3-ylmethyl)pyrimidin-4-amine
PubChem CID107298890
Molecular FormulaC15H19N5S
Molecular Weight301.42 g/mol
Exact Mass301.14
IUPAC Name6-hydrazinyl-2-phenyl-N-(thiolan-3-ylmethyl)pyrimidin-4-amine
SMILESNNc1cc(NCC2CCSC2)nc(-c2ccccc2)n1
InChIInChI=1S/C15H19N5S/c16-20-14-8-13(17-9-11-6-7-21-10-11)18-15(19-14)12-4-2-1-3-5-12/h1-5,8,11H,6-7,9-10,16H2,(H2,17,18,19,20)
InChIKeyOVLISILWPYQWTF-UHFFFAOYSA-N
XLogP2.59
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 52.59
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'}

Analyze 6-hydrazinyl-2-phenyl-N-(thiolan-3-ylmethyl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-2-phenyl-N-(thiolan-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-2-phenyl-N-(thiolan-3-ylmethyl)pyrimidin-4-amine (CID 107298890) is 6-hydrazinyl-2-phenyl-N-(thiolan-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-2-phenyl-N-(thiolan-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-2-phenyl-N-(thiolan-3-ylmethyl)pyrimidin-4-amine is NNc1cc(NCC2CCSC2)nc(-c2ccccc2)n1.
What is the InChIKey of 6-hydrazinyl-2-phenyl-N-(thiolan-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is OVLISILWPYQWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5S/c16-20-14-8-13(17-9-11-6-7-21-10-11)18-15(19-14)12-4-2-1-3-5-12/h1-5,8,11H,6-7,9-10,16H2,(H2,17,18,19,20).
What are the key properties of 6-hydrazinyl-2-phenyl-N-(thiolan-3-ylmethyl)pyrimidin-4-amine?
6-hydrazinyl-2-phenyl-N-(thiolan-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 301.42 g/mol, XLogP of 2.59, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-2-phenyl-N-(thiolan-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 107298890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).