5-bromo-6-hydrazinyl-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-4-amine

C13H16BrN5O — CID 106262742

IUPAC5-bromo-6-hydrazinyl-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-4-amine
SMILESCOc1ccccc1CCNc1ncnc(NN)c1Br
InChIInChI=1S/C13H16BrN5O/c1-20-10-5-3-2-4-9(10)6-7-16-12-11(14)13(19-15)18-8-17-12/h2-5,8H,6-7,15H2,1H3,(H2,16,17,18,19)
InChIKeyBYFPVYXKZIIQSL-UHFFFAOYSA-N
MW338.21 g/mol
LogP2.19
Rot. Bonds6

About 5-bromo-6-hydrazinyl-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-4-amine

5-bromo-6-hydrazinyl-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-4-amine (PubChem CID 106262742) has the molecular formula C13H16BrN5O and a molecular weight of 338.21 g/mol. Its IUPAC name is 5-bromo-6-hydrazinyl-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-hydrazinyl-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-4-amine
PubChem CID106262742
Molecular FormulaC13H16BrN5O
Molecular Weight338.21 g/mol
Exact Mass337.05
IUPAC Name5-bromo-6-hydrazinyl-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-4-amine
SMILESCOc1ccccc1CCNc1ncnc(NN)c1Br
InChIInChI=1S/C13H16BrN5O/c1-20-10-5-3-2-4-9(10)6-7-16-12-11(14)13(19-15)18-8-17-12/h2-5,8H,6-7,15H2,1H3,(H2,16,17,18,19)
InChIKeyBYFPVYXKZIIQSL-UHFFFAOYSA-N
XLogP2.19
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 52.19
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'}

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Related Compounds

5-bromo-4-N-[2-(2-methoxyphenyl)ethyl]-6-N-methylpyrimidine-4,6-diamine
CID 106262696
6-hydrazinyl-N-[(2-methoxyphenyl)methyl]-5-propylpyrimidin-4-amine
CID 80911879
5-bromo-4-N-[2-(2-methoxyphenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine
CID 106262690
5-bromo-4-N-[2-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine
CID 114072528
6-hydrazinyl-5-methyl-N-[2-(2-methylphenyl)ethyl]pyrimidin-4-amine
CID 80930265
5-bromo-6-methyl-N-[2-(2-propylphenoxy)ethyl]pyrimidin-4-amine
CID 13075408
4-N-(3,5-dimethylphenyl)-6-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112861517
5-amino-6-[2-(2-methoxyphenyl)ethylamino]pyridine-3-carbonitrile
CID 106259794
5-bromo-2-[2-(2-methoxyphenyl)ethylamino]pyridine-3-carboxylic acid
CID 106261575
6-N-butyl-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112855105
5-amino-4-[2-(2-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one
CID 136887855
2-[2-(2-methoxyphenyl)ethylamino]-4-methylpyridine-3-carbothioamide
CID 106261389

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-hydrazinyl-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-hydrazinyl-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-4-amine (CID 106262742) is 5-bromo-6-hydrazinyl-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-hydrazinyl-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-hydrazinyl-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-4-amine is COc1ccccc1CCNc1ncnc(NN)c1Br.
What is the InChIKey of 5-bromo-6-hydrazinyl-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-4-amine?
The InChIKey is BYFPVYXKZIIQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN5O/c1-20-10-5-3-2-4-9(10)6-7-16-12-11(14)13(19-15)18-8-17-12/h2-5,8H,6-7,15H2,1H3,(H2,16,17,18,19).
What are the key properties of 5-bromo-6-hydrazinyl-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-4-amine?
5-bromo-6-hydrazinyl-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-4-amine has a molecular weight of 338.21 g/mol, XLogP of 2.19, 6 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-[2-(2-methoxyphenyl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 106262742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).