N-(4-bromo-3-methylphenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine

C13H16BrN5 — CID 80937868

IUPACN-(4-bromo-3-methylphenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine
SMILESCCc1nc(NN)cc(Nc2ccc(Br)c(C)c2)n1
InChIInChI=1S/C13H16BrN5/c1-3-11-17-12(7-13(18-11)19-15)16-9-4-5-10(14)8(2)6-9/h4-7H,3,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyCUIOKKZACCQWSY-UHFFFAOYSA-N
MW322.21 g/mol
LogP3.14
Rot. Bonds4

About N-(4-bromo-3-methylphenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine

N-(4-bromo-3-methylphenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine (PubChem CID 80937868) has the molecular formula C13H16BrN5 and a molecular weight of 322.21 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine
PubChem CID80937868
Molecular FormulaC13H16BrN5
Molecular Weight322.21 g/mol
Exact Mass321.06
IUPAC NameN-(4-bromo-3-methylphenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine
SMILESCCc1nc(NN)cc(Nc2ccc(Br)c(C)c2)n1
InChIInChI=1S/C13H16BrN5/c1-3-11-17-12(7-13(18-11)19-15)16-9-4-5-10(14)8(2)6-9/h4-7H,3,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyCUIOKKZACCQWSY-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

N-(3-bromo-4-iodophenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine
CID 114262880
4-N-(4-bromo-3-methylphenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80940247
N-(1-benzothiophen-5-yl)-2-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80937710
4-N-(4-bromo-3-chlorophenyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 107617788
4-N-(4-bromo-3-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80941489
N-(4-bromo-3-fluorophenyl)-6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-amine
CID 113401888
4-N-(4-bromo-3-methylphenyl)-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80759959
4-N-(4-bromo-3-methylphenyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80956183
6-chloro-N-(3,4-dimethylphenyl)-2-ethylpyrimidin-4-amine
CID 80944911
N-(3-bromo-4-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 104782098
N-(2,5-difluoro-4-methylphenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine
CID 103587913
2-ethyl-4-N-(4-methoxy-3-methylphenyl)pyrimidine-4,6-diamine
CID 80935459

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine (CID 80937868) is N-(4-bromo-3-methylphenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine is CCc1nc(NN)cc(Nc2ccc(Br)c(C)c2)n1.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine?
The InChIKey is CUIOKKZACCQWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN5/c1-3-11-17-12(7-13(18-11)19-15)16-9-4-5-10(14)8(2)6-9/h4-7H,3,15H2,1-2H3,(H2,16,17,18,19).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine?
N-(4-bromo-3-methylphenyl)-2-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-(4-bromo-3-methylphenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 80937868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).