N-(4-bromo-2,3-dichlorophenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine

C13H14BrCl2N5 — CID 107795388

IUPACN-(4-bromo-2,3-dichlorophenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NN)cc(Nc2ccc(Br)c(Cl)c2Cl)n1
InChIInChI=1S/C13H14BrCl2N5/c1-2-3-9-19-10(6-11(20-9)21-17)18-8-5-4-7(14)12(15)13(8)16/h4-6H,2-3,17H2,1H3,(H2,18,19,20,21)
InChIKeyVFQNLNHCMQHHAU-UHFFFAOYSA-N
MW391.10 g/mol
LogP4.53
Rot. Bonds5

About N-(4-bromo-2,3-dichlorophenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine

N-(4-bromo-2,3-dichlorophenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine (PubChem CID 107795388) has the molecular formula C13H14BrCl2N5 and a molecular weight of 391.10 g/mol. Its IUPAC name is N-(4-bromo-2,3-dichlorophenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-bromo-2,3-dichlorophenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine
PubChem CID107795388
Molecular FormulaC13H14BrCl2N5
Molecular Weight391.10 g/mol
Exact Mass388.98
IUPAC NameN-(4-bromo-2,3-dichlorophenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NN)cc(Nc2ccc(Br)c(Cl)c2Cl)n1
InChIInChI=1S/C13H14BrCl2N5/c1-2-3-9-19-10(6-11(20-9)21-17)18-8-5-4-7(14)12(15)13(8)16/h4-6H,2-3,17H2,1H3,(H2,18,19,20,21)
InChIKeyVFQNLNHCMQHHAU-UHFFFAOYSA-N
XLogP4.53
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.10
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-N-(4-bromo-2,3-dichlorophenyl)-2-propylpyrimidine-4,6-diamine
CID 107794868
N-(2-chloro-4-methylphenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80946977
4-N-(4-bromo-2,3-dichlorophenyl)-2-(methoxymethyl)pyrimidine-4,6-diamine
CID 107794910
4-N-(4-bromo-2-chlorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80939644
N-(2,6-dichloro-4-fluorophenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine
CID 83073478
4-N-(2,3-dichlorophenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80945819
4-N-(2-bromo-5-methylphenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 82758688
N-(2,4-dichlorophenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80937232
6-hydrazinyl-N-(4-methoxyphenyl)-2-propylpyrimidin-4-amine
CID 80947745
N-(2,6-difluorophenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80946886
4-N-(2-bromo-3-chlorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 103481880
4-N-(2-bromo-5-chloro-4-methylphenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 104725572

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,3-dichlorophenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine?
The IUPAC name of N-(4-bromo-2,3-dichlorophenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine (CID 107795388) is N-(4-bromo-2,3-dichlorophenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for N-(4-bromo-2,3-dichlorophenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine?
The canonical SMILES for N-(4-bromo-2,3-dichlorophenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine is CCCc1nc(NN)cc(Nc2ccc(Br)c(Cl)c2Cl)n1.
What is the InChIKey of N-(4-bromo-2,3-dichlorophenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine?
The InChIKey is VFQNLNHCMQHHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrCl2N5/c1-2-3-9-19-10(6-11(20-9)21-17)18-8-5-4-7(14)12(15)13(8)16/h4-6H,2-3,17H2,1H3,(H2,18,19,20,21).
What are the key properties of N-(4-bromo-2,3-dichlorophenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine?
N-(4-bromo-2,3-dichlorophenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine has a molecular weight of 391.10 g/mol, XLogP of 4.53, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,3-dichlorophenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 107795388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).