N-(2,6-dichloro-4-fluorophenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine

C13H14Cl2FN5 — CID 83073478

IUPACN-(2,6-dichloro-4-fluorophenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NN)cc(Nc2c(Cl)cc(F)cc2Cl)n1
InChIInChI=1S/C13H14Cl2FN5/c1-2-3-10-18-11(6-12(19-10)21-17)20-13-8(14)4-7(16)5-9(13)15/h4-6H,2-3,17H2,1H3,(H2,18,19,20,21)
InChIKeyDFULTXXQPXUABO-UHFFFAOYSA-N
MW330.19 g/mol
LogP3.90
Rot. Bonds5

About N-(2,6-dichloro-4-fluorophenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine

N-(2,6-dichloro-4-fluorophenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine (PubChem CID 83073478) has the molecular formula C13H14Cl2FN5 and a molecular weight of 330.19 g/mol. Its IUPAC name is N-(2,6-dichloro-4-fluorophenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,6-dichloro-4-fluorophenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine
PubChem CID83073478
Molecular FormulaC13H14Cl2FN5
Molecular Weight330.19 g/mol
Exact Mass329.06
IUPAC NameN-(2,6-dichloro-4-fluorophenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NN)cc(Nc2c(Cl)cc(F)cc2Cl)n1
InChIInChI=1S/C13H14Cl2FN5/c1-2-3-10-18-11(6-12(19-10)21-17)20-13-8(14)4-7(16)5-9(13)15/h4-6H,2-3,17H2,1H3,(H2,18,19,20,21)
InChIKeyDFULTXXQPXUABO-UHFFFAOYSA-N
XLogP3.90
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.19
LogP ≤ 53.90
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-(2,6-difluorophenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80946886
N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-2-propylpyrimidin-4-amine
CID 107614936
4-N-(2,6-dichloro-4-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 83073328
N-(2-chloro-4-methylphenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80946977
[6-(3,5-difluorophenoxy)-2-propylpyrimidin-4-yl]hydrazine
CID 80947113
N-(4-bromo-2,3-dichlorophenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine
CID 107795388
6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80947336
6-hydrazinyl-N-(4-methoxyphenyl)-2-propylpyrimidin-4-amine
CID 80947745
N-[(2-chlorophenyl)methyl]-6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80946742
6-bromo-N-(3,5-dichloro-4-fluorophenyl)-2-propylpyrimidin-4-amine
CID 107576901
6-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)-2-ethylpyrimidin-4-amine
CID 107614917
N-(3-ethylphenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80947085

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-4-fluorophenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine?
The IUPAC name of N-(2,6-dichloro-4-fluorophenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine (CID 83073478) is N-(2,6-dichloro-4-fluorophenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for N-(2,6-dichloro-4-fluorophenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine?
The canonical SMILES for N-(2,6-dichloro-4-fluorophenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine is CCCc1nc(NN)cc(Nc2c(Cl)cc(F)cc2Cl)n1.
What is the InChIKey of N-(2,6-dichloro-4-fluorophenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine?
The InChIKey is DFULTXXQPXUABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2FN5/c1-2-3-10-18-11(6-12(19-10)21-17)20-13-8(14)4-7(16)5-9(13)15/h4-6H,2-3,17H2,1H3,(H2,18,19,20,21).
What are the key properties of N-(2,6-dichloro-4-fluorophenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine?
N-(2,6-dichloro-4-fluorophenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine has a molecular weight of 330.19 g/mol, XLogP of 3.90, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-4-fluorophenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 83073478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).