N-(3-bromo-5-methylphenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine

C13H16BrN5 — CID 107581086

IUPACN-(3-bromo-5-methylphenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
SMILESCCc1c(NN)ncnc1Nc1cc(C)cc(Br)c1
InChIInChI=1S/C13H16BrN5/c1-3-11-12(16-7-17-13(11)19-15)18-10-5-8(2)4-9(14)6-10/h4-7H,3,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyVRIDZYGKMOZQSR-UHFFFAOYSA-N
MW322.21 g/mol
LogP3.14
Rot. Bonds4

About N-(3-bromo-5-methylphenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine

N-(3-bromo-5-methylphenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine (PubChem CID 107581086) has the molecular formula C13H16BrN5 and a molecular weight of 322.21 g/mol. Its IUPAC name is N-(3-bromo-5-methylphenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-bromo-5-methylphenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
PubChem CID107581086
Molecular FormulaC13H16BrN5
Molecular Weight322.21 g/mol
Exact Mass321.06
IUPAC NameN-(3-bromo-5-methylphenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
SMILESCCc1c(NN)ncnc1Nc1cc(C)cc(Br)c1
InChIInChI=1S/C13H16BrN5/c1-3-11-12(16-7-17-13(11)19-15)18-10-5-8(2)4-9(14)6-10/h4-7H,3,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyVRIDZYGKMOZQSR-UHFFFAOYSA-N
XLogP3.14
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-N-(3-bromo-5-methylphenyl)-5-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 107580901
5-ethyl-6-hydrazinyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 80927591
N-(3,5-dimethoxyphenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80912719
N-(3-bromo-5-methylphenyl)-6-chloro-5-propylpyrimidin-4-amine
CID 107576956
N-(3-bromo-5-methylphenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 107581080
N-(3-bromo-4-methoxyphenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80925138
5-ethyl-4-N-(3-fluoro-5-methylphenyl)-6-N-propylpyrimidine-4,6-diamine
CID 80834573
1-N-(5-ethyl-6-hydrazinylpyrimidin-4-yl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115379768
4-N-(3-bromo-5-methylphenyl)-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 107580873
4-N-(3-bromo-5-methylphenyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 107580991
N-(2-bromo-5-methoxyphenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80924194
N-(3-bromo-4-methylphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80914838

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methylphenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine?
The IUPAC name of N-(3-bromo-5-methylphenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine (CID 107581086) is N-(3-bromo-5-methylphenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for N-(3-bromo-5-methylphenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine?
The canonical SMILES for N-(3-bromo-5-methylphenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine is CCc1c(NN)ncnc1Nc1cc(C)cc(Br)c1.
What is the InChIKey of N-(3-bromo-5-methylphenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine?
The InChIKey is VRIDZYGKMOZQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN5/c1-3-11-12(16-7-17-13(11)19-15)18-10-5-8(2)4-9(14)6-10/h4-7H,3,15H2,1-2H3,(H2,16,17,18,19).
What are the key properties of N-(3-bromo-5-methylphenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine?
N-(3-bromo-5-methylphenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine has a molecular weight of 322.21 g/mol, XLogP of 3.14, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methylphenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 107581086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).