N-(4-bromo-3-chlorophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine

C10H8BrClN6O2 — CID 107617966

IUPACN-(4-bromo-3-chlorophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
SMILESNNc1ncnc(Nc2ccc(Br)c(Cl)c2)c1[N+](=O)[O-]
InChIInChI=1S/C10H8BrClN6O2/c11-6-2-1-5(3-7(6)12)16-9-8(18(19)20)10(17-13)15-4-14-9/h1-4H,13H2,(H2,14,15,16,17)
InChIKeyQELSTNAKWOHVOE-UHFFFAOYSA-N
MW359.57 g/mol
LogP2.83
Rot. Bonds4

About N-(4-bromo-3-chlorophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine

N-(4-bromo-3-chlorophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine (PubChem CID 107617966) has the molecular formula C10H8BrClN6O2 and a molecular weight of 359.57 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-bromo-3-chlorophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
PubChem CID107617966
Molecular FormulaC10H8BrClN6O2
Molecular Weight359.57 g/mol
Exact Mass357.96
IUPAC NameN-(4-bromo-3-chlorophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
SMILESNNc1ncnc(Nc2ccc(Br)c(Cl)c2)c1[N+](=O)[O-]
InChIInChI=1S/C10H8BrClN6O2/c11-6-2-1-5(3-7(6)12)16-9-8(18(19)20)10(17-13)15-4-14-9/h1-4H,13H2,(H2,14,15,16,17)
InChIKeyQELSTNAKWOHVOE-UHFFFAOYSA-N
XLogP2.83
TPSA119.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.57
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromo-3-methylphenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 80920273
4-N-(4-bromo-3-chlorophenyl)-6-N-ethyl-5-nitropyrimidine-4,6-diamine
CID 107617798
N-(3,5-dichloro-4-fluorophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 107581042
N-(3,5-dichlorophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 23483587
6-N-(4-bromophenyl)-4-N-(3-chloro-4-fluorophenyl)-5-nitropyrimidine-4,6-diamine
CID 22533111
4-N-(3,4-dichlorophenyl)-6-N-(4-fluorophenyl)-5-nitropyrimidine-4,6-diamine
CID 23485511
4-N-(3-chloro-4-fluorophenyl)-6-N-(3,4-difluorophenyl)-5-nitropyrimidine-4,6-diamine
CID 22537882
N-(3-bromo-5-methylphenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 107581080
4-N-(3-chloro-4-methylphenyl)-6-N-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine
CID 23485292
4-N-tert-butyl-6-N-(3,4-dichlorophenyl)-5-nitropyrimidine-4,6-diamine
CID 23478645
4-N-(4-bromo-3-methylphenyl)-6-N-methyl-5-nitropyrimidine-4,6-diamine
CID 80759625
4-N-(2,5-dichlorophenyl)-6-N-(3,4-dichlorophenyl)-5-nitropyrimidine-4,6-diamine
CID 23485490

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chlorophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine?
The IUPAC name of N-(4-bromo-3-chlorophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine (CID 107617966) is N-(4-bromo-3-chlorophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine.
What is the SMILES notation for N-(4-bromo-3-chlorophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine?
The canonical SMILES for N-(4-bromo-3-chlorophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine is NNc1ncnc(Nc2ccc(Br)c(Cl)c2)c1[N+](=O)[O-].
What is the InChIKey of N-(4-bromo-3-chlorophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine?
The InChIKey is QELSTNAKWOHVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN6O2/c11-6-2-1-5(3-7(6)12)16-9-8(18(19)20)10(17-13)15-4-14-9/h1-4H,13H2,(H2,14,15,16,17).
What are the key properties of N-(4-bromo-3-chlorophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine?
N-(4-bromo-3-chlorophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine has a molecular weight of 359.57 g/mol, XLogP of 2.83, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-chlorophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine is sourced from PubChem (CID 107617966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).