N-(3,5-dichloro-4-fluorophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine

C10H7Cl2FN6O2 — CID 107581042

IUPACN-(3,5-dichloro-4-fluorophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
SMILESNNc1ncnc(Nc2cc(Cl)c(F)c(Cl)c2)c1[N+](=O)[O-]
InChIInChI=1S/C10H7Cl2FN6O2/c11-5-1-4(2-6(12)7(5)13)17-9-8(19(20)21)10(18-14)16-3-15-9/h1-3H,14H2,(H2,15,16,17,18)
InChIKeySKXVWTIHYGPBGF-UHFFFAOYSA-N
MW333.11 g/mol
LogP2.86
Rot. Bonds4

About N-(3,5-dichloro-4-fluorophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine

N-(3,5-dichloro-4-fluorophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine (PubChem CID 107581042) has the molecular formula C10H7Cl2FN6O2 and a molecular weight of 333.11 g/mol. Its IUPAC name is N-(3,5-dichloro-4-fluorophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,5-dichloro-4-fluorophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
PubChem CID107581042
Molecular FormulaC10H7Cl2FN6O2
Molecular Weight333.11 g/mol
Exact Mass332.00
IUPAC NameN-(3,5-dichloro-4-fluorophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
SMILESNNc1ncnc(Nc2cc(Cl)c(F)c(Cl)c2)c1[N+](=O)[O-]
InChIInChI=1S/C10H7Cl2FN6O2/c11-5-1-4(2-6(12)7(5)13)17-9-8(19(20)21)10(18-14)16-3-15-9/h1-3H,14H2,(H2,15,16,17,18)
InChIKeySKXVWTIHYGPBGF-UHFFFAOYSA-N
XLogP2.86
TPSA119.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.11
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'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-(3,5-dichlorophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 23483587
N-(4-bromo-3-chlorophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 107617966
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
6-hydrazinyl-5-nitro-N-(2,3,5-trifluorophenyl)pyrimidin-4-amine
CID 80904013
N-(3-bromo-5-methylphenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 107581080
6-N-(4-bromophenyl)-4-N-(3-chloro-4-fluorophenyl)-5-nitropyrimidine-4,6-diamine
CID 22533111
4-[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]benzoic acid
CID 22534779
N-(4-fluoro-2-iodophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 80930163
4-N-(4-chloro-3-fluorophenyl)-6-N-methyl-5-nitropyrimidine-4,6-diamine
CID 80804001
N-(4-bromo-3-methylphenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 80920273
6-N-(3-chloro-4-fluorophenyl)-4-N-(2-chlorophenyl)-5-nitropyrimidine-4,6-diamine
CID 22532086

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-fluorophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine?
The IUPAC name of N-(3,5-dichloro-4-fluorophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine (CID 107581042) is N-(3,5-dichloro-4-fluorophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine.
What is the SMILES notation for N-(3,5-dichloro-4-fluorophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine?
The canonical SMILES for N-(3,5-dichloro-4-fluorophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine is NNc1ncnc(Nc2cc(Cl)c(F)c(Cl)c2)c1[N+](=O)[O-].
What is the InChIKey of N-(3,5-dichloro-4-fluorophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine?
The InChIKey is SKXVWTIHYGPBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2FN6O2/c11-5-1-4(2-6(12)7(5)13)17-9-8(19(20)21)10(18-14)16-3-15-9/h1-3H,14H2,(H2,15,16,17,18).
What are the key properties of N-(3,5-dichloro-4-fluorophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine?
N-(3,5-dichloro-4-fluorophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine has a molecular weight of 333.11 g/mol, XLogP of 2.86, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-fluorophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine is sourced from PubChem (CID 107581042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).