N-[(2-bromophenyl)methyl]-6-hydrazinyl-5-propylpyrimidin-4-amine

C14H18BrN5 — CID 80899023

IUPACN-[(2-bromophenyl)methyl]-6-hydrazinyl-5-propylpyrimidin-4-amine
SMILESCCCc1c(NN)ncnc1NCc1ccccc1Br
InChIInChI=1S/C14H18BrN5/c1-2-5-11-13(18-9-19-14(11)20-16)17-8-10-6-3-4-7-12(10)15/h3-4,6-7,9H,2,5,8,16H2,1H3,(H2,17,18,19,20)
InChIKeyAISDKYYYBPZWHU-UHFFFAOYSA-N
MW336.24 g/mol
LogP3.09
Rot. Bonds6

About N-[(2-bromophenyl)methyl]-6-hydrazinyl-5-propylpyrimidin-4-amine

N-[(2-bromophenyl)methyl]-6-hydrazinyl-5-propylpyrimidin-4-amine (PubChem CID 80899023) has the molecular formula C14H18BrN5 and a molecular weight of 336.24 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-6-hydrazinyl-5-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-6-hydrazinyl-5-propylpyrimidin-4-amine
PubChem CID80899023
Molecular FormulaC14H18BrN5
Molecular Weight336.24 g/mol
Exact Mass335.07
IUPAC NameN-[(2-bromophenyl)methyl]-6-hydrazinyl-5-propylpyrimidin-4-amine
SMILESCCCc1c(NN)ncnc1NCc1ccccc1Br
InChIInChI=1S/C14H18BrN5/c1-2-5-11-13(18-9-19-14(11)20-16)17-8-10-6-3-4-7-12(10)15/h3-4,6-7,9H,2,5,8,16H2,1H3,(H2,17,18,19,20)
InChIKeyAISDKYYYBPZWHU-UHFFFAOYSA-N
XLogP3.09
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.24
LogP ≤ 53.09
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-[(2-chlorophenyl)methyl]-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80932408
6-hydrazinyl-N-[(2-methoxyphenyl)methyl]-5-propylpyrimidin-4-amine
CID 80911879
6-[(2-bromophenyl)methoxy]-N-ethyl-5-propylpyrimidin-4-amine
CID 82808450
2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]ethanesulfonamide
CID 80906224
6-hydrazinyl-N-[(5-methylthiophen-2-yl)methyl]-5-propylpyrimidin-4-amine
CID 80908255
4-N-[(2-chlorophenyl)methyl]-5-propylpyrimidine-4,6-diamine
CID 80784843
N-(2-chlorophenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80927802
N-(3-bromo-4-methylphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80914838
6-hydrazinyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-propylpyrimidin-4-amine
CID 80897287
1-N-(6-hydrazinyl-5-propylpyrimidin-4-yl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 106761113
4-N-[(2-bromophenyl)methyl]-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80986834
4-N-(2-bromophenyl)-5-propylpyrimidine-4,6-diamine
CID 80761295

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-6-hydrazinyl-5-propylpyrimidin-4-amine?
The IUPAC name of N-[(2-bromophenyl)methyl]-6-hydrazinyl-5-propylpyrimidin-4-amine (CID 80899023) is N-[(2-bromophenyl)methyl]-6-hydrazinyl-5-propylpyrimidin-4-amine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-6-hydrazinyl-5-propylpyrimidin-4-amine?
The canonical SMILES for N-[(2-bromophenyl)methyl]-6-hydrazinyl-5-propylpyrimidin-4-amine is CCCc1c(NN)ncnc1NCc1ccccc1Br.
What is the InChIKey of N-[(2-bromophenyl)methyl]-6-hydrazinyl-5-propylpyrimidin-4-amine?
The InChIKey is AISDKYYYBPZWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN5/c1-2-5-11-13(18-9-19-14(11)20-16)17-8-10-6-3-4-7-12(10)15/h3-4,6-7,9H,2,5,8,16H2,1H3,(H2,17,18,19,20).
What are the key properties of N-[(2-bromophenyl)methyl]-6-hydrazinyl-5-propylpyrimidin-4-amine?
N-[(2-bromophenyl)methyl]-6-hydrazinyl-5-propylpyrimidin-4-amine has a molecular weight of 336.24 g/mol, XLogP of 3.09, 6 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-5-propylpyrimidin-4-amine is sourced from PubChem (CID 80899023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).