6-hydrazinyl-N-(2-methoxyethyl)-2-phenylpyrimidin-4-amine

C13H17N5O — CID 112559970

IUPAC6-hydrazinyl-N-(2-methoxyethyl)-2-phenylpyrimidin-4-amine
SMILESCOCCNc1cc(NN)nc(-c2ccccc2)n1
InChIInChI=1S/C13H17N5O/c1-19-8-7-15-11-9-12(18-14)17-13(16-11)10-5-3-2-4-6-10/h2-6,9H,7-8,14H2,1H3,(H2,15,16,17,18)
InChIKeyUURRHLQSIQRUHG-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.49
Rot. Bonds6

About 6-hydrazinyl-N-(2-methoxyethyl)-2-phenylpyrimidin-4-amine

6-hydrazinyl-N-(2-methoxyethyl)-2-phenylpyrimidin-4-amine (PubChem CID 112559970) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 6-hydrazinyl-N-(2-methoxyethyl)-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-(2-methoxyethyl)-2-phenylpyrimidin-4-amine
PubChem CID112559970
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name6-hydrazinyl-N-(2-methoxyethyl)-2-phenylpyrimidin-4-amine
SMILESCOCCNc1cc(NN)nc(-c2ccccc2)n1
InChIInChI=1S/C13H17N5O/c1-19-8-7-15-11-9-12(18-14)17-13(16-11)10-5-3-2-4-6-10/h2-6,9H,7-8,14H2,1H3,(H2,15,16,17,18)
InChIKeyUURRHLQSIQRUHG-UHFFFAOYSA-N
XLogP1.49
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethoxyethyl)-6-hydrazinyl-2-phenylpyrimidin-4-amine
CID 115916133
2-[2-[(6-hydrazinyl-2-phenylpyrimidin-4-yl)amino]ethoxy]ethanol
CID 115916179
2-[(6-hydrazinyl-2-phenylpyrimidin-4-yl)amino]ethanol
CID 112559967
6-N-(2-methoxyethyl)-2-phenyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112880243
6-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-methoxyethyl)-2-phenylpyrimidine-4,6-diamine
CID 112880259
6-hydrazinyl-N-(2-methoxyethyl)-2-methylpyrimidin-4-amine
CID 80932180
6-N-(2-methoxyethyl)-4-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylpyrimidine-4,6-diamine
CID 112880373
6-hydrazinyl-N-(4-methylpentyl)-2-phenylpyrimidin-4-amine
CID 115916187
N-(2,2-dimethylpropyl)-6-hydrazinyl-2-phenylpyrimidin-4-amine
CID 113353653
6-N-(2-methoxyethyl)-2-phenyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 112880306
2-[[6-(2-methoxyethylamino)-2-phenylpyrimidin-4-yl]amino]benzonitrile
CID 112880366
4-N-(3-bromophenyl)-6-N-(2-methoxyethyl)-2-phenylpyrimidine-4,6-diamine
CID 112880351

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-(2-methoxyethyl)-2-phenylpyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N-(2-methoxyethyl)-2-phenylpyrimidin-4-amine (CID 112559970) is 6-hydrazinyl-N-(2-methoxyethyl)-2-phenylpyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N-(2-methoxyethyl)-2-phenylpyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N-(2-methoxyethyl)-2-phenylpyrimidin-4-amine is COCCNc1cc(NN)nc(-c2ccccc2)n1.
What is the InChIKey of 6-hydrazinyl-N-(2-methoxyethyl)-2-phenylpyrimidin-4-amine?
The InChIKey is UURRHLQSIQRUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-19-8-7-15-11-9-12(18-14)17-13(16-11)10-5-3-2-4-6-10/h2-6,9H,7-8,14H2,1H3,(H2,15,16,17,18).
What are the key properties of 6-hydrazinyl-N-(2-methoxyethyl)-2-phenylpyrimidin-4-amine?
6-hydrazinyl-N-(2-methoxyethyl)-2-phenylpyrimidin-4-amine has a molecular weight of 259.31 g/mol, XLogP of 1.49, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-(2-methoxyethyl)-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 112559970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).