5-bromo-6-hydrazinyl-N-[3-(methoxymethyl)phenyl]pyrimidin-4-amine

C12H14BrN5O — CID 114073042

IUPAC5-bromo-6-hydrazinyl-N-[3-(methoxymethyl)phenyl]pyrimidin-4-amine
SMILESCOCc1cccc(Nc2ncnc(NN)c2Br)c1
InChIInChI=1S/C12H14BrN5O/c1-19-6-8-3-2-4-9(5-8)17-11-10(13)12(18-14)16-7-15-11/h2-5,7H,6,14H2,1H3,(H2,15,16,17,18)
InChIKeyVTIBIOBCKGQFIT-UHFFFAOYSA-N
MW324.18 g/mol
LogP2.41
Rot. Bonds5

About 5-bromo-6-hydrazinyl-N-[3-(methoxymethyl)phenyl]pyrimidin-4-amine

5-bromo-6-hydrazinyl-N-[3-(methoxymethyl)phenyl]pyrimidin-4-amine (PubChem CID 114073042) has the molecular formula C12H14BrN5O and a molecular weight of 324.18 g/mol. Its IUPAC name is 5-bromo-6-hydrazinyl-N-[3-(methoxymethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-hydrazinyl-N-[3-(methoxymethyl)phenyl]pyrimidin-4-amine
PubChem CID114073042
Molecular FormulaC12H14BrN5O
Molecular Weight324.18 g/mol
Exact Mass323.04
IUPAC Name5-bromo-6-hydrazinyl-N-[3-(methoxymethyl)phenyl]pyrimidin-4-amine
SMILESCOCc1cccc(Nc2ncnc(NN)c2Br)c1
InChIInChI=1S/C12H14BrN5O/c1-19-6-8-3-2-4-9(5-8)17-11-10(13)12(18-14)16-7-15-11/h2-5,7H,6,14H2,1H3,(H2,15,16,17,18)
InChIKeyVTIBIOBCKGQFIT-UHFFFAOYSA-N
XLogP2.41
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-bromo-6-hydrazinyl-N-[3-(methoxymethyl)phenyl]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-hydrazinyl-N-[3-(methoxymethyl)phenyl]-5-propan-2-ylpyrimidin-4-amine
CID 80901261
5-bromo-4-N-[3-(methoxymethyl)phenyl]-2-N-methylpyrimidine-2,4-diamine
CID 80801794
5-bromo-4-N-(3-ethylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 114071894
8-fluoro-N-[3-(methoxymethyl)phenyl]quinazolin-4-amine
CID 119045645
5-fluoro-4-N-[3-(methoxymethyl)phenyl]pyrimidine-2,4-diamine
CID 80802102
N-(3-ethylphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80928282
5-bromo-6-chloro-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
CID 106193488
2-hydrazinyl-N-[3-(methoxymethyl)phenyl]pyridine-3-carboxamide
CID 62249141
6-chloro-N-[3-(methoxymethyl)phenyl]-4,5-dimethylpyridazin-3-amine
CID 55168145
3-bromo-N-[3-(methoxymethyl)phenyl]pyridin-4-amine
CID 104778246
5-bromo-N-(3-fluoro-5-methoxyphenyl)-6-hydrazinylpyrimidin-4-amine
CID 114262908
3-(methoxymethyl)-N-methylaniline
CID 23080905

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-hydrazinyl-N-[3-(methoxymethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-hydrazinyl-N-[3-(methoxymethyl)phenyl]pyrimidin-4-amine (CID 114073042) is 5-bromo-6-hydrazinyl-N-[3-(methoxymethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-hydrazinyl-N-[3-(methoxymethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-hydrazinyl-N-[3-(methoxymethyl)phenyl]pyrimidin-4-amine is COCc1cccc(Nc2ncnc(NN)c2Br)c1.
What is the InChIKey of 5-bromo-6-hydrazinyl-N-[3-(methoxymethyl)phenyl]pyrimidin-4-amine?
The InChIKey is VTIBIOBCKGQFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN5O/c1-19-6-8-3-2-4-9(5-8)17-11-10(13)12(18-14)16-7-15-11/h2-5,7H,6,14H2,1H3,(H2,15,16,17,18).
What are the key properties of 5-bromo-6-hydrazinyl-N-[3-(methoxymethyl)phenyl]pyrimidin-4-amine?
5-bromo-6-hydrazinyl-N-[3-(methoxymethyl)phenyl]pyrimidin-4-amine has a molecular weight of 324.18 g/mol, XLogP of 2.41, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-hydrazinyl-N-[3-(methoxymethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 114073042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).