N-[(2-bromophenyl)methyl]-2-hydrazinyl-N,6-dimethylpyrimidin-4-amine

C13H16BrN5 — CID 80896379

IUPACN-[(2-bromophenyl)methyl]-2-hydrazinyl-N,6-dimethylpyrimidin-4-amine
SMILESCc1cc(N(C)Cc2ccccc2Br)nc(NN)n1
InChIInChI=1S/C13H16BrN5/c1-9-7-12(17-13(16-9)18-15)19(2)8-10-5-3-4-6-11(10)14/h3-7H,8,15H2,1-2H3,(H,16,17,18)
InChIKeyNROYNARJTXQAHX-UHFFFAOYSA-N
MW322.21 g/mol
LogP2.47
Rot. Bonds4

About N-[(2-bromophenyl)methyl]-2-hydrazinyl-N,6-dimethylpyrimidin-4-amine

N-[(2-bromophenyl)methyl]-2-hydrazinyl-N,6-dimethylpyrimidin-4-amine (PubChem CID 80896379) has the molecular formula C13H16BrN5 and a molecular weight of 322.21 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-2-hydrazinyl-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-2-hydrazinyl-N,6-dimethylpyrimidin-4-amine
PubChem CID80896379
Molecular FormulaC13H16BrN5
Molecular Weight322.21 g/mol
Exact Mass321.06
IUPAC NameN-[(2-bromophenyl)methyl]-2-hydrazinyl-N,6-dimethylpyrimidin-4-amine
SMILESCc1cc(N(C)Cc2ccccc2Br)nc(NN)n1
InChIInChI=1S/C13H16BrN5/c1-9-7-12(17-13(16-9)18-15)19(2)8-10-5-3-4-6-11(10)14/h3-7H,8,15H2,1-2H3,(H,16,17,18)
InChIKeyNROYNARJTXQAHX-UHFFFAOYSA-N
XLogP2.47
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 52.47
H-Bond Donors ≤ 52
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-benzyl-2-hydrazinyl-N,6-dimethylpyrimidin-4-amine
CID 80918150
2-hydrazinyl-N,6-dimethyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 80906970
2-hydrazinyl-N,6-dimethyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 80906105
N-[(4-chlorophenyl)methyl]-2-hydrazinyl-N,6-dimethylpyrimidin-4-amine
CID 80896376
4-N-[(2-chlorophenyl)methyl]-2-N,4-N,6-trimethylpyrimidine-2,4-diamine
CID 80794819
4-(aminomethyl)-N-[(2-bromophenyl)methyl]-N,6-dimethylpyrimidin-2-amine
CID 107541717
4-N-[(2-bromophenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80794402
4-N-[(2-bromophenyl)methyl]-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80778356
N-(2,2-dimethylpropyl)-2-hydrazinyl-N,6-dimethylpyrimidin-4-amine
CID 80903777
4-[(2-bromophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carbothioamide
CID 81060570
6-bromo-N-[(2-bromophenyl)methyl]-N-methylpyridin-2-amine
CID 63962798
3-[(2-hydrazinyl-6-methylpyrimidin-4-yl)-methylamino]propanenitrile
CID 80916985

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-2-hydrazinyl-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of N-[(2-bromophenyl)methyl]-2-hydrazinyl-N,6-dimethylpyrimidin-4-amine (CID 80896379) is N-[(2-bromophenyl)methyl]-2-hydrazinyl-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-2-hydrazinyl-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for N-[(2-bromophenyl)methyl]-2-hydrazinyl-N,6-dimethylpyrimidin-4-amine is Cc1cc(N(C)Cc2ccccc2Br)nc(NN)n1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-2-hydrazinyl-N,6-dimethylpyrimidin-4-amine?
The InChIKey is NROYNARJTXQAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN5/c1-9-7-12(17-13(16-9)18-15)19(2)8-10-5-3-4-6-11(10)14/h3-7H,8,15H2,1-2H3,(H,16,17,18).
What are the key properties of N-[(2-bromophenyl)methyl]-2-hydrazinyl-N,6-dimethylpyrimidin-4-amine?
N-[(2-bromophenyl)methyl]-2-hydrazinyl-N,6-dimethylpyrimidin-4-amine has a molecular weight of 322.21 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-2-hydrazinyl-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80896379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).