N-(3-bromo-4-methylphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine

C14H18BrN5 — CID 80914838

IUPACN-(3-bromo-4-methylphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine
SMILESCCCc1c(NN)ncnc1Nc1ccc(C)c(Br)c1
InChIInChI=1S/C14H18BrN5/c1-3-4-11-13(17-8-18-14(11)20-16)19-10-6-5-9(2)12(15)7-10/h5-8H,3-4,16H2,1-2H3,(H2,17,18,19,20)
InChIKeyCILRIUDQPPNJMC-UHFFFAOYSA-N
MW336.24 g/mol
LogP3.53
Rot. Bonds5

About N-(3-bromo-4-methylphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine

N-(3-bromo-4-methylphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine (PubChem CID 80914838) has the molecular formula C14H18BrN5 and a molecular weight of 336.24 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine
PubChem CID80914838
Molecular FormulaC14H18BrN5
Molecular Weight336.24 g/mol
Exact Mass335.07
IUPAC NameN-(3-bromo-4-methylphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine
SMILESCCCc1c(NN)ncnc1Nc1ccc(C)c(Br)c1
InChIInChI=1S/C14H18BrN5/c1-3-4-11-13(17-8-18-14(11)20-16)19-10-6-5-9(2)12(15)7-10/h5-8H,3-4,16H2,1-2H3,(H2,17,18,19,20)
InChIKeyCILRIUDQPPNJMC-UHFFFAOYSA-N
XLogP3.53
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.24
LogP ≤ 53.53
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-ethylphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80928282
N-(3-bromo-4-methoxyphenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80925138
5-bromo-N-(3-bromo-4-methylphenyl)pyrimidin-4-amine
CID 66318405
1-N-(5-ethyl-6-hydrazinylpyrimidin-4-yl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115379768
N-(3-bromo-4-fluorophenyl)-6-chloro-5-propylpyrimidin-4-amine
CID 113452357
N-(5-bromo-2-methoxyphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80902077
4-N-(4-bromophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80761074
N-(4-bromo-3-methylphenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80921046
5-ethyl-6-hydrazinyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 80927591
N-[(2-bromophenyl)methyl]-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80899023
4-bromo-2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]benzonitrile
CID 107802049
N-(3-bromo-5-methylphenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 107581086

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine?
The IUPAC name of N-(3-bromo-4-methylphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine (CID 80914838) is N-(3-bromo-4-methylphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine is CCCc1c(NN)ncnc1Nc1ccc(C)c(Br)c1.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine?
The InChIKey is CILRIUDQPPNJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN5/c1-3-4-11-13(17-8-18-14(11)20-16)19-10-6-5-9(2)12(15)7-10/h5-8H,3-4,16H2,1-2H3,(H2,17,18,19,20).
What are the key properties of N-(3-bromo-4-methylphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine?
N-(3-bromo-4-methylphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine has a molecular weight of 336.24 g/mol, XLogP of 3.53, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine is sourced from PubChem (CID 80914838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).