4-(benzylamino)-6-(2-phenylhydrazinyl)pyrimidine-5-carbaldehyde

C18H17N5O — CID 110171468

IUPAC4-(benzylamino)-6-(2-phenylhydrazinyl)pyrimidine-5-carbaldehyde
SMILESO=Cc1c(NCc2ccccc2)ncnc1NNc1ccccc1
InChIInChI=1S/C18H17N5O/c24-12-16-17(19-11-14-7-3-1-4-8-14)20-13-21-18(16)23-22-15-9-5-2-6-10-15/h1-10,12-13,22H,11H2,(H2,19,20,21,23)
InChIKeyDPNMPGPIGPDCDQ-UHFFFAOYSA-N
MW319.37 g/mol
LogP3.34
Rot. Bonds7

About 4-(benzylamino)-6-(2-phenylhydrazinyl)pyrimidine-5-carbaldehyde

4-(benzylamino)-6-(2-phenylhydrazinyl)pyrimidine-5-carbaldehyde (PubChem CID 110171468) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 4-(benzylamino)-6-(2-phenylhydrazinyl)pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-(benzylamino)-6-(2-phenylhydrazinyl)pyrimidine-5-carbaldehyde
PubChem CID110171468
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name4-(benzylamino)-6-(2-phenylhydrazinyl)pyrimidine-5-carbaldehyde
SMILESO=Cc1c(NCc2ccccc2)ncnc1NNc1ccccc1
InChIInChI=1S/C18H17N5O/c24-12-16-17(19-11-14-7-3-1-4-8-14)20-13-21-18(16)23-22-15-9-5-2-6-10-15/h1-10,12-13,22H,11H2,(H2,19,20,21,23)
InChIKeyDPNMPGPIGPDCDQ-UHFFFAOYSA-N
XLogP3.34
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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-(benzylamino)-6-(2-phenylhydrazinyl)pyrimidine-5-carbaldehyde?
The IUPAC name of 4-(benzylamino)-6-(2-phenylhydrazinyl)pyrimidine-5-carbaldehyde (CID 110171468) is 4-(benzylamino)-6-(2-phenylhydrazinyl)pyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-(benzylamino)-6-(2-phenylhydrazinyl)pyrimidine-5-carbaldehyde?
The canonical SMILES for 4-(benzylamino)-6-(2-phenylhydrazinyl)pyrimidine-5-carbaldehyde is O=Cc1c(NCc2ccccc2)ncnc1NNc1ccccc1.
What is the InChIKey of 4-(benzylamino)-6-(2-phenylhydrazinyl)pyrimidine-5-carbaldehyde?
The InChIKey is DPNMPGPIGPDCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c24-12-16-17(19-11-14-7-3-1-4-8-14)20-13-21-18(16)23-22-15-9-5-2-6-10-15/h1-10,12-13,22H,11H2,(H2,19,20,21,23).
What are the key properties of 4-(benzylamino)-6-(2-phenylhydrazinyl)pyrimidine-5-carbaldehyde?
4-(benzylamino)-6-(2-phenylhydrazinyl)pyrimidine-5-carbaldehyde has a molecular weight of 319.37 g/mol, XLogP of 3.34, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylamino)-6-(2-phenylhydrazinyl)pyrimidine-5-carbaldehyde is sourced from PubChem (CID 110171468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).