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

C10H8Cl2N6O2 — CID 23483587

IUPACN-(3,5-dichlorophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
SMILESNNc1ncnc(Nc2cc(Cl)cc(Cl)c2)c1[N+](=O)[O-]
InChIInChI=1S/C10H8Cl2N6O2/c11-5-1-6(12)3-7(2-5)16-9-8(18(19)20)10(17-13)15-4-14-9/h1-4H,13H2,(H2,14,15,16,17)
InChIKeyMCNGEHCPGCDPPT-UHFFFAOYSA-N
MW315.12 g/mol
LogP2.72
Rot. Bonds4

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

N-(3,5-dichlorophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine (PubChem CID 23483587) has the molecular formula C10H8Cl2N6O2 and a molecular weight of 315.12 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
PubChem CID23483587
Molecular FormulaC10H8Cl2N6O2
Molecular Weight315.12 g/mol
Exact Mass314.01
IUPAC NameN-(3,5-dichlorophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
SMILESNNc1ncnc(Nc2cc(Cl)cc(Cl)c2)c1[N+](=O)[O-]
InChIInChI=1S/C10H8Cl2N6O2/c11-5-1-6(12)3-7(2-5)16-9-8(18(19)20)10(17-13)15-4-14-9/h1-4H,13H2,(H2,14,15,16,17)
InChIKeyMCNGEHCPGCDPPT-UHFFFAOYSA-N
XLogP2.72
TPSA119.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.12
LogP ≤ 52.72
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-(3,5-dichloro-4-fluorophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 107581042
4-N-tert-butyl-6-N-(3,5-dichlorophenyl)-5-nitropyrimidine-4,6-diamine
CID 23478636
6-N-(3,5-dichlorophenyl)-5-nitro-4-N-(1,3-thiazol-2-yl)pyrimidine-4,6-diamine
CID 23483559
N-(4-bromo-3-chlorophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 107617966
N-(3-bromo-5-methylphenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 107581080
1-[4-[[6-(3,5-dichloroanilino)-5-nitropyrimidin-4-yl]amino]phenyl]ethanone
CID 23483576
4-N-(3,5-dichlorophenyl)-6-N-naphthalen-1-yl-5-nitropyrimidine-4,6-diamine
CID 23483538
6-N-(3,5-dichlorophenyl)-5-nitro-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 23483543
4-N-(3,5-dichlorophenyl)-5-nitro-6-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 23483536
4-[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]benzoic acid
CID 22534779
4-N-(3,5-dichlorophenyl)-5-nitro-6-N-quinolin-5-ylpyrimidine-4,6-diamine
CID 23483626
N-(4-bromo-3-methylphenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 80920273

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine?
The IUPAC name of N-(3,5-dichlorophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine (CID 23483587) is N-(3,5-dichlorophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine.
What is the SMILES notation for N-(3,5-dichlorophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine?
The canonical SMILES for N-(3,5-dichlorophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine is NNc1ncnc(Nc2cc(Cl)cc(Cl)c2)c1[N+](=O)[O-].
What is the InChIKey of N-(3,5-dichlorophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine?
The InChIKey is MCNGEHCPGCDPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N6O2/c11-5-1-6(12)3-7(2-5)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-(3,5-dichlorophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine?
N-(3,5-dichlorophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine has a molecular weight of 315.12 g/mol, XLogP of 2.72, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine is sourced from PubChem (CID 23483587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).