N'-tert-butyl-N'-(4-ethylbenzoyl)pyrimidine-2-carbohydrazide

C18H22N4O2 — CID 67934022

IUPACN'-tert-butyl-N'-(4-ethylbenzoyl)pyrimidine-2-carbohydrazide
SMILESCCc1ccc(C(=O)N(NC(=O)c2ncccn2)C(C)(C)C)cc1
InChIInChI=1S/C18H22N4O2/c1-5-13-7-9-14(10-8-13)17(24)22(18(2,3)4)21-16(23)15-19-11-6-12-20-15/h6-12H,5H2,1-4H3,(H,21,23)
InChIKeySVMVMXQXANQTCG-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.62
Rot. Bonds3

About N'-tert-butyl-N'-(4-ethylbenzoyl)pyrimidine-2-carbohydrazide

N'-tert-butyl-N'-(4-ethylbenzoyl)pyrimidine-2-carbohydrazide (PubChem CID 67934022) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N'-tert-butyl-N'-(4-ethylbenzoyl)pyrimidine-2-carbohydrazide.

Molecular Properties

Compound NameN'-tert-butyl-N'-(4-ethylbenzoyl)pyrimidine-2-carbohydrazide
PubChem CID67934022
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN'-tert-butyl-N'-(4-ethylbenzoyl)pyrimidine-2-carbohydrazide
SMILESCCc1ccc(C(=O)N(NC(=O)c2ncccn2)C(C)(C)C)cc1
InChIInChI=1S/C18H22N4O2/c1-5-13-7-9-14(10-8-13)17(24)22(18(2,3)4)21-16(23)15-19-11-6-12-20-15/h6-12H,5H2,1-4H3,(H,21,23)
InChIKeySVMVMXQXANQTCG-UHFFFAOYSA-N
XLogP2.62
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-tert-butyl-N'-(4-chlorobenzoyl)-4-ethylbenzohydrazide;trihydrochloride
CID 70294476
N-tert-butyl-3-ethenyl-N'-(4-ethylbenzoyl)benzohydrazide;trihydrochloride
CID 70294631
N-tert-butyl-N'-propanoylbenzohydrazide
CID 57065241
N-tert-butyl-2,4-dichloro-N'-(4-ethylbenzoyl)benzohydrazide
CID 70428217
N'-benzoyl-N'-tert-butyl-4-chlorobenzohydrazide;N-tert-butyl-N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide;furan
CID 89310943
N'-benzoyl-N-tert-butylpyridine-2-carbohydrazide
CID 15767551
N'-tert-butyl-N'-(cyclobutanecarbonyl)-4-ethylbenzohydrazide
CID 102122876
N-(4-amino-2,2-dimethylbutyl)-4-ethylbenzamide
CID 114148877
N-[2,2-dimethyl-3-(methylamino)propyl]-4-ethylbenzamide
CID 115271137
ethane;4-ethyl-N-hydroxybenzamide
CID 142831550
N-tert-butyl-N'-(2-fluorobenzoyl)-6-methylpyridine-3-carbohydrazide
CID 141400773
N-tert-butyl-N'-(2,3-dimethylbenzoyl)pyridine-4-carbohydrazide
CID 18961985

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N'-(4-ethylbenzoyl)pyrimidine-2-carbohydrazide?
The IUPAC name of N'-tert-butyl-N'-(4-ethylbenzoyl)pyrimidine-2-carbohydrazide (CID 67934022) is N'-tert-butyl-N'-(4-ethylbenzoyl)pyrimidine-2-carbohydrazide.
What is the SMILES notation for N'-tert-butyl-N'-(4-ethylbenzoyl)pyrimidine-2-carbohydrazide?
The canonical SMILES for N'-tert-butyl-N'-(4-ethylbenzoyl)pyrimidine-2-carbohydrazide is CCc1ccc(C(=O)N(NC(=O)c2ncccn2)C(C)(C)C)cc1.
What is the InChIKey of N'-tert-butyl-N'-(4-ethylbenzoyl)pyrimidine-2-carbohydrazide?
The InChIKey is SVMVMXQXANQTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-5-13-7-9-14(10-8-13)17(24)22(18(2,3)4)21-16(23)15-19-11-6-12-20-15/h6-12H,5H2,1-4H3,(H,21,23).
What are the key properties of N'-tert-butyl-N'-(4-ethylbenzoyl)pyrimidine-2-carbohydrazide?
N'-tert-butyl-N'-(4-ethylbenzoyl)pyrimidine-2-carbohydrazide has a molecular weight of 326.40 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N'-(4-ethylbenzoyl)pyrimidine-2-carbohydrazide is sourced from PubChem (CID 67934022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).