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'}

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Related Compounds

6-hydrazinyl-N-(oxolan-2-ylmethyl)-2-phenylpyrimidin-4-amine
CID 115916260
2-hydrazinyl-6-methyl-N-(thiolan-3-ylmethyl)pyrimidin-4-amine
CID 107298910
2-[(6-hydrazinyl-2-phenylpyrimidin-4-yl)amino]ethanol
CID 112559967
N-(2,2-dimethylpropyl)-6-hydrazinyl-2-phenylpyrimidin-4-amine
CID 113353653
6-N,2-diethyl-4-N-(thiolan-3-ylmethyl)pyrimidine-4,6-diamine
CID 107298863
[6-(cyclopentylmethylsulfanyl)-2-phenylpyrimidin-4-yl]hydrazine
CID 115916343
2-N-(thiolan-3-ylmethyl)pyridine-2,4-diamine
CID 107294970
6-hydrazinyl-N-(2-methoxyethyl)-2-phenylpyrimidin-4-amine
CID 112559970
4-N-(oxan-4-ylmethyl)-2-phenylpyrimidine-4,6-diamine
CID 115915604
6-hydrazinyl-N-(4-methylpentyl)-2-phenylpyrimidin-4-amine
CID 115916187
N-(2-ethoxyethyl)-6-hydrazinyl-2-phenylpyrimidin-4-amine
CID 115916133
5-phenyl-N-(thian-3-ylmethyl)pyrazin-2-amine
CID 166225530

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).