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

C12H14BrN5 — CID 80898933

IUPACN-[(2-bromophenyl)methyl]-6-hydrazinyl-2-methylpyrimidin-4-amine
SMILESCc1nc(NN)cc(NCc2ccccc2Br)n1
InChIInChI=1S/C12H14BrN5/c1-8-16-11(6-12(17-8)18-14)15-7-9-4-2-3-5-10(9)13/h2-6H,7,14H2,1H3,(H2,15,16,17,18)
InChIKeyAMWMTHDGNLGBEY-UHFFFAOYSA-N
MW308.18 g/mol
LogP2.45
Rot. Bonds4

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

N-[(2-bromophenyl)methyl]-6-hydrazinyl-2-methylpyrimidin-4-amine (PubChem CID 80898933) has the molecular formula C12H14BrN5 and a molecular weight of 308.18 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-6-hydrazinyl-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-6-hydrazinyl-2-methylpyrimidin-4-amine
PubChem CID80898933
Molecular FormulaC12H14BrN5
Molecular Weight308.18 g/mol
Exact Mass307.04
IUPAC NameN-[(2-bromophenyl)methyl]-6-hydrazinyl-2-methylpyrimidin-4-amine
SMILESCc1nc(NN)cc(NCc2ccccc2Br)n1
InChIInChI=1S/C12H14BrN5/c1-8-16-11(6-12(17-8)18-14)15-7-9-4-2-3-5-10(9)13/h2-6H,7,14H2,1H3,(H2,15,16,17,18)
InChIKeyAMWMTHDGNLGBEY-UHFFFAOYSA-N
XLogP2.45
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 52.45
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

6-hydrazinyl-2-methyl-N-[(2-methylphenyl)methyl]pyrimidin-4-amine
CID 80898136
4-N-[(2-bromophenyl)methyl]-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80794152
N-[(2-bromophenyl)methyl]-6-hydrazinyl-4-nitropyridin-2-amine
CID 114071438
2-[(2-bromophenyl)methylamino]-6-methylpyridine-4-carbonitrile
CID 114765939
N-[(2-bromophenyl)methyl]-1,5-dimethylpyrazol-3-amine
CID 115751708
6-N-ethyl-2-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80790221
N-[(2-bromophenyl)methyl]-2-hydrazinylpyrimidin-4-amine
CID 80898932
2-[(2-bromophenyl)methylamino]-6-methylpyridine-4-carboxylic acid
CID 113378568
N-[(2-bromophenyl)methyl]-5-methylpyridazin-3-amine
CID 106549621
[6-[2-(2-bromophenyl)ethylamino]-2-methylpyrimidin-4-yl]cyanamide
CID 115266748
6-bromo-N-[(2-bromophenyl)methyl]pyridin-2-amine
CID 63962154
N-[(3,4-difluorophenyl)methyl]-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80904358

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-6-hydrazinyl-2-methylpyrimidin-4-amine?
The IUPAC name of N-[(2-bromophenyl)methyl]-6-hydrazinyl-2-methylpyrimidin-4-amine (CID 80898933) is N-[(2-bromophenyl)methyl]-6-hydrazinyl-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-6-hydrazinyl-2-methylpyrimidin-4-amine?
The canonical SMILES for N-[(2-bromophenyl)methyl]-6-hydrazinyl-2-methylpyrimidin-4-amine is Cc1nc(NN)cc(NCc2ccccc2Br)n1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-6-hydrazinyl-2-methylpyrimidin-4-amine?
The InChIKey is AMWMTHDGNLGBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN5/c1-8-16-11(6-12(17-8)18-14)15-7-9-4-2-3-5-10(9)13/h2-6H,7,14H2,1H3,(H2,15,16,17,18).
What are the key properties of N-[(2-bromophenyl)methyl]-6-hydrazinyl-2-methylpyrimidin-4-amine?
N-[(2-bromophenyl)methyl]-6-hydrazinyl-2-methylpyrimidin-4-amine has a molecular weight of 308.18 g/mol, XLogP of 2.45, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-6-hydrazinyl-2-methylpyrimidin-4-amine is sourced from PubChem (CID 80898933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).