N'-(4,6-dimethylpyrimidin-2-yl)-3-(4-oxoquinazolin-3-yl)propanehydrazide

C17H18N6O2 — CID 26122035

IUPACN'-(4,6-dimethylpyrimidin-2-yl)-3-(4-oxoquinazolin-3-yl)propanehydrazide
SMILESCc1cc(C)nc(NNC(=O)CCn2cnc3ccccc3c2=O)n1
InChIInChI=1S/C17H18N6O2/c1-11-9-12(2)20-17(19-11)22-21-15(24)7-8-23-10-18-14-6-4-3-5-13(14)16(23)25/h3-6,9-10H,7-8H2,1-2H3,(H,21,24)(H,19,20,22)
InChIKeyRETMIYJCOCGXCL-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.34
Rot. Bonds5

About N'-(4,6-dimethylpyrimidin-2-yl)-3-(4-oxoquinazolin-3-yl)propanehydrazide

N'-(4,6-dimethylpyrimidin-2-yl)-3-(4-oxoquinazolin-3-yl)propanehydrazide (PubChem CID 26122035) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is N'-(4,6-dimethylpyrimidin-2-yl)-3-(4-oxoquinazolin-3-yl)propanehydrazide.

Molecular Properties

Compound NameN'-(4,6-dimethylpyrimidin-2-yl)-3-(4-oxoquinazolin-3-yl)propanehydrazide
PubChem CID26122035
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC NameN'-(4,6-dimethylpyrimidin-2-yl)-3-(4-oxoquinazolin-3-yl)propanehydrazide
SMILESCc1cc(C)nc(NNC(=O)CCn2cnc3ccccc3c2=O)n1
InChIInChI=1S/C17H18N6O2/c1-11-9-12(2)20-17(19-11)22-21-15(24)7-8-23-10-18-14-6-4-3-5-13(14)16(23)25/h3-6,9-10H,7-8H2,1-2H3,(H,21,24)(H,19,20,22)
InChIKeyRETMIYJCOCGXCL-UHFFFAOYSA-N
XLogP1.34
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(4,6-dimethylpyrimidin-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 155294773
N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 122324679
N-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 155916269
N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 122294971
3-(4-methylphenyl)-N'-[3-(4-oxoquinazolin-3-yl)propanoyl]-1H-pyrazole-5-carbohydrazide
CID 71891472
N-[2-(methylamino)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide;hydrochloride
CID 119502460
N-(4-bromo-3-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 2974265
N-[(3-fluoro-4-methylphenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 34487848
N-(2-acetamido-5-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 131906477
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 122356666
4-methyl-N'-[3-(4-oxoquinazolin-3-yl)propanoyl]-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 34391804
N-but-3-ynyl-3-(4-oxoquinazolin-3-yl)propanamide
CID 90537872

Frequently Asked Questions

What is the IUPAC name of N'-(4,6-dimethylpyrimidin-2-yl)-3-(4-oxoquinazolin-3-yl)propanehydrazide?
The IUPAC name of N'-(4,6-dimethylpyrimidin-2-yl)-3-(4-oxoquinazolin-3-yl)propanehydrazide (CID 26122035) is N'-(4,6-dimethylpyrimidin-2-yl)-3-(4-oxoquinazolin-3-yl)propanehydrazide.
What is the SMILES notation for N'-(4,6-dimethylpyrimidin-2-yl)-3-(4-oxoquinazolin-3-yl)propanehydrazide?
The canonical SMILES for N'-(4,6-dimethylpyrimidin-2-yl)-3-(4-oxoquinazolin-3-yl)propanehydrazide is Cc1cc(C)nc(NNC(=O)CCn2cnc3ccccc3c2=O)n1.
What is the InChIKey of N'-(4,6-dimethylpyrimidin-2-yl)-3-(4-oxoquinazolin-3-yl)propanehydrazide?
The InChIKey is RETMIYJCOCGXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c1-11-9-12(2)20-17(19-11)22-21-15(24)7-8-23-10-18-14-6-4-3-5-13(14)16(23)25/h3-6,9-10H,7-8H2,1-2H3,(H,21,24)(H,19,20,22).
What are the key properties of N'-(4,6-dimethylpyrimidin-2-yl)-3-(4-oxoquinazolin-3-yl)propanehydrazide?
N'-(4,6-dimethylpyrimidin-2-yl)-3-(4-oxoquinazolin-3-yl)propanehydrazide has a molecular weight of 338.37 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,6-dimethylpyrimidin-2-yl)-3-(4-oxoquinazolin-3-yl)propanehydrazide is sourced from PubChem (CID 26122035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).