4,6-diphenyl-N'-propan-2-ylpyrimidine-2-carbohydrazide

C20H20N4O — CID 1361933

IUPAC4,6-diphenyl-N'-propan-2-ylpyrimidine-2-carbohydrazide
SMILESCC(C)NNC(=O)c1nc(-c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C20H20N4O/c1-14(2)23-24-20(25)19-21-17(15-9-5-3-6-10-15)13-18(22-19)16-11-7-4-8-12-16/h3-14,23H,1-2H3,(H,24,25)
InChIKeyZFFCIEHWACXXGG-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.45
Rot. Bonds5

About 4,6-diphenyl-N'-propan-2-ylpyrimidine-2-carbohydrazide

4,6-diphenyl-N'-propan-2-ylpyrimidine-2-carbohydrazide (PubChem CID 1361933) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 4,6-diphenyl-N'-propan-2-ylpyrimidine-2-carbohydrazide.

Molecular Properties

Compound Name4,6-diphenyl-N'-propan-2-ylpyrimidine-2-carbohydrazide
PubChem CID1361933
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name4,6-diphenyl-N'-propan-2-ylpyrimidine-2-carbohydrazide
SMILESCC(C)NNC(=O)c1nc(-c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C20H20N4O/c1-14(2)23-24-20(25)19-21-17(15-9-5-3-6-10-15)13-18(22-19)16-11-7-4-8-12-16/h3-14,23H,1-2H3,(H,24,25)
InChIKeyZFFCIEHWACXXGG-UHFFFAOYSA-N
XLogP3.45
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.45
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 4,6-diphenyl-N'-propan-2-ylpyrimidine-2-carbohydrazide?
The IUPAC name of 4,6-diphenyl-N'-propan-2-ylpyrimidine-2-carbohydrazide (CID 1361933) is 4,6-diphenyl-N'-propan-2-ylpyrimidine-2-carbohydrazide.
What is the SMILES notation for 4,6-diphenyl-N'-propan-2-ylpyrimidine-2-carbohydrazide?
The canonical SMILES for 4,6-diphenyl-N'-propan-2-ylpyrimidine-2-carbohydrazide is CC(C)NNC(=O)c1nc(-c2ccccc2)cc(-c2ccccc2)n1.
What is the InChIKey of 4,6-diphenyl-N'-propan-2-ylpyrimidine-2-carbohydrazide?
The InChIKey is ZFFCIEHWACXXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-14(2)23-24-20(25)19-21-17(15-9-5-3-6-10-15)13-18(22-19)16-11-7-4-8-12-16/h3-14,23H,1-2H3,(H,24,25).
What are the key properties of 4,6-diphenyl-N'-propan-2-ylpyrimidine-2-carbohydrazide?
4,6-diphenyl-N'-propan-2-ylpyrimidine-2-carbohydrazide has a molecular weight of 332.41 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diphenyl-N'-propan-2-ylpyrimidine-2-carbohydrazide is sourced from PubChem (CID 1361933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).