N-(4-bromophenyl)-6-(2-tert-butylhydrazinyl)-5-nitropyrimidin-4-amine

C14H17BrN6O2 — CID 22533105

IUPACN-(4-bromophenyl)-6-(2-tert-butylhydrazinyl)-5-nitropyrimidin-4-amine
SMILESCC(C)(C)NNc1ncnc(Nc2ccc(Br)cc2)c1[N+](=O)[O-]
InChIInChI=1S/C14H17BrN6O2/c1-14(2,3)20-19-13-11(21(22)23)12(16-8-17-13)18-10-6-4-9(15)5-7-10/h4-8,20H,1-3H3,(H2,16,17,18,19)
InChIKeyPZRVUJHRLOVCFA-UHFFFAOYSA-N
MW381.23 g/mol
LogP3.61
Rot. Bonds5

About N-(4-bromophenyl)-6-(2-tert-butylhydrazinyl)-5-nitropyrimidin-4-amine

N-(4-bromophenyl)-6-(2-tert-butylhydrazinyl)-5-nitropyrimidin-4-amine (PubChem CID 22533105) has the molecular formula C14H17BrN6O2 and a molecular weight of 381.23 g/mol. Its IUPAC name is N-(4-bromophenyl)-6-(2-tert-butylhydrazinyl)-5-nitropyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)-6-(2-tert-butylhydrazinyl)-5-nitropyrimidin-4-amine
PubChem CID22533105
Molecular FormulaC14H17BrN6O2
Molecular Weight381.23 g/mol
Exact Mass380.06
IUPAC NameN-(4-bromophenyl)-6-(2-tert-butylhydrazinyl)-5-nitropyrimidin-4-amine
SMILESCC(C)(C)NNc1ncnc(Nc2ccc(Br)cc2)c1[N+](=O)[O-]
InChIInChI=1S/C14H17BrN6O2/c1-14(2,3)20-19-13-11(21(22)23)12(16-8-17-13)18-10-6-4-9(15)5-7-10/h4-8,20H,1-3H3,(H2,16,17,18,19)
InChIKeyPZRVUJHRLOVCFA-UHFFFAOYSA-N
XLogP3.61
TPSA105.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.23
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-(2-tert-butylhydrazinyl)-5-nitro-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 23486602
4-[[6-(2-tert-butylhydrazinyl)-5-nitropyrimidin-4-yl]amino]benzoic acid
CID 22537571
4-N-(4-bromophenyl)-6-N-butyl-5-nitropyrimidine-4,6-diamine
CID 23486754
6-(2-tert-butylhydrazinyl)-N-(3-chlorophenyl)-5-nitropyrimidin-4-amine
CID 22532548
6-N-(4-bromophenyl)-4-N-(2-methylphenyl)-5-nitropyrimidine-4,6-diamine
CID 22531907
4-N-(2-bromophenyl)-6-N-(4-bromophenyl)-5-nitropyrimidine-4,6-diamine
CID 22532146
6-(2-tert-butylhydrazinyl)-N-(2,4-dichlorophenyl)-5-nitropyrimidin-4-amine
CID 22534157
6-N-(4-bromophenyl)-4-N-(2,3-dimethylphenyl)-5-nitropyrimidine-4,6-diamine
CID 23495277
6-N-(4-bromophenyl)-4-N-(2-chlorophenyl)-5-nitropyrimidine-4,6-diamine
CID 22532027
N-(4-bromophenyl)-5-nitro-6-propan-2-yloxypyrimidin-4-amine
CID 22533101
6-(2-tert-butylhydrazinyl)-5-nitro-N-propylpyrimidin-4-amine
CID 23487405
6-N-(4-bromophenyl)-4-N-(3-chloro-4-fluorophenyl)-5-nitropyrimidine-4,6-diamine
CID 22533111

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-6-(2-tert-butylhydrazinyl)-5-nitropyrimidin-4-amine?
The IUPAC name of N-(4-bromophenyl)-6-(2-tert-butylhydrazinyl)-5-nitropyrimidin-4-amine (CID 22533105) is N-(4-bromophenyl)-6-(2-tert-butylhydrazinyl)-5-nitropyrimidin-4-amine.
What is the SMILES notation for N-(4-bromophenyl)-6-(2-tert-butylhydrazinyl)-5-nitropyrimidin-4-amine?
The canonical SMILES for N-(4-bromophenyl)-6-(2-tert-butylhydrazinyl)-5-nitropyrimidin-4-amine is CC(C)(C)NNc1ncnc(Nc2ccc(Br)cc2)c1[N+](=O)[O-].
What is the InChIKey of N-(4-bromophenyl)-6-(2-tert-butylhydrazinyl)-5-nitropyrimidin-4-amine?
The InChIKey is PZRVUJHRLOVCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN6O2/c1-14(2,3)20-19-13-11(21(22)23)12(16-8-17-13)18-10-6-4-9(15)5-7-10/h4-8,20H,1-3H3,(H2,16,17,18,19).
What are the key properties of N-(4-bromophenyl)-6-(2-tert-butylhydrazinyl)-5-nitropyrimidin-4-amine?
N-(4-bromophenyl)-6-(2-tert-butylhydrazinyl)-5-nitropyrimidin-4-amine has a molecular weight of 381.23 g/mol, XLogP of 3.61, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-6-(2-tert-butylhydrazinyl)-5-nitropyrimidin-4-amine is sourced from PubChem (CID 22533105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).