N'-(2-methyl-6-phenylpyrimidin-4-yl)benzohydrazide

C18H16N4O — CID 867941

IUPACN'-(2-methyl-6-phenylpyrimidin-4-yl)benzohydrazide
SMILESCc1nc(NNC(=O)c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C18H16N4O/c1-13-19-16(14-8-4-2-5-9-14)12-17(20-13)21-22-18(23)15-10-6-3-7-11-15/h2-12H,1H3,(H,22,23)(H,19,20,21)
InChIKeySPFCJWLLEKIQOM-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.21
Rot. Bonds4

About N'-(2-methyl-6-phenylpyrimidin-4-yl)benzohydrazide

N'-(2-methyl-6-phenylpyrimidin-4-yl)benzohydrazide (PubChem CID 867941) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is N'-(2-methyl-6-phenylpyrimidin-4-yl)benzohydrazide.

Molecular Properties

Compound NameN'-(2-methyl-6-phenylpyrimidin-4-yl)benzohydrazide
PubChem CID867941
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC NameN'-(2-methyl-6-phenylpyrimidin-4-yl)benzohydrazide
SMILESCc1nc(NNC(=O)c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C18H16N4O/c1-13-19-16(14-8-4-2-5-9-14)12-17(20-13)21-22-18(23)15-10-6-3-7-11-15/h2-12H,1H3,(H,22,23)(H,19,20,21)
InChIKeySPFCJWLLEKIQOM-UHFFFAOYSA-N
XLogP3.21
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2-methyl-6-phenylpyrimidin-4-yl)benzohydrazide?
The IUPAC name of N'-(2-methyl-6-phenylpyrimidin-4-yl)benzohydrazide (CID 867941) is N'-(2-methyl-6-phenylpyrimidin-4-yl)benzohydrazide.
What is the SMILES notation for N'-(2-methyl-6-phenylpyrimidin-4-yl)benzohydrazide?
The canonical SMILES for N'-(2-methyl-6-phenylpyrimidin-4-yl)benzohydrazide is Cc1nc(NNC(=O)c2ccccc2)cc(-c2ccccc2)n1.
What is the InChIKey of N'-(2-methyl-6-phenylpyrimidin-4-yl)benzohydrazide?
The InChIKey is SPFCJWLLEKIQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-13-19-16(14-8-4-2-5-9-14)12-17(20-13)21-22-18(23)15-10-6-3-7-11-15/h2-12H,1H3,(H,22,23)(H,19,20,21).
What are the key properties of N'-(2-methyl-6-phenylpyrimidin-4-yl)benzohydrazide?
N'-(2-methyl-6-phenylpyrimidin-4-yl)benzohydrazide has a molecular weight of 304.35 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methyl-6-phenylpyrimidin-4-yl)benzohydrazide is sourced from PubChem (CID 867941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).