N-(4-chloro-2-methylphenyl)-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine

C23H19ClN6O2 — CID 23485066

IUPACN-(4-chloro-2-methylphenyl)-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine
SMILESCc1cc(Cl)ccc1Nc1ncnc(NN(c2ccccc2)c2ccccc2)c1[N+](=O)[O-]
InChIInChI=1S/C23H19ClN6O2/c1-16-14-17(24)12-13-20(16)27-22-21(30(31)32)23(26-15-25-22)28-29(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15H,1H3,(H2,25,26,27,28)
InChIKeyNETJBTCQKPKLPL-UHFFFAOYSA-N
MW446.90 g/mol
LogP6.26
Rot. Bonds7

About N-(4-chloro-2-methylphenyl)-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine

N-(4-chloro-2-methylphenyl)-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine (PubChem CID 23485066) has the molecular formula C23H19ClN6O2 and a molecular weight of 446.90 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine
PubChem CID23485066
Molecular FormulaC23H19ClN6O2
Molecular Weight446.90 g/mol
Exact Mass446.13
IUPAC NameN-(4-chloro-2-methylphenyl)-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine
SMILESCc1cc(Cl)ccc1Nc1ncnc(NN(c2ccccc2)c2ccccc2)c1[N+](=O)[O-]
InChIInChI=1S/C23H19ClN6O2/c1-16-14-17(24)12-13-20(16)27-22-21(30(31)32)23(26-15-25-22)28-29(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15H,1H3,(H2,25,26,27,28)
InChIKeyNETJBTCQKPKLPL-UHFFFAOYSA-N
XLogP6.26
TPSA96.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.90
LogP ≤ 56.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-methylphenyl)-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine
CID 23485908
4-N-(4-chloro-2-methylphenyl)-6-N-methyl-5-nitropyrimidine-4,6-diamine
CID 23484992
6-N-(4-chloro-2-methylphenyl)-4-N-(2,5-difluorophenyl)-5-nitropyrimidine-4,6-diamine
CID 23485163
N-(4-bromo-2-fluorophenyl)-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine
CID 22530710
6-N-(4-chloro-2-methylphenyl)-4-N-(4-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine
CID 23483688
N-(4-chloro-2-methylphenyl)-5-nitro-6-propan-2-yloxypyrimidin-4-amine
CID 23485135
N-(3,4-difluorophenyl)-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine
CID 22530733
2-[6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-yl]-1,1-diphenylhydrazine
CID 22528078
6-N-(3-chlorophenyl)-4-N-(2-methylphenyl)-5-nitropyrimidine-4,6-diamine
CID 22531902
6-(2,2-diphenylhydrazinyl)-5-nitro-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 23484207
N-tert-butyl-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine
CID 23478725
4-N-(4-chloro-2-methylphenyl)-6-N-[(4-fluorophenyl)methyl]-5-nitropyrimidine-4,6-diamine
CID 23485162

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine?
The IUPAC name of N-(4-chloro-2-methylphenyl)-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine (CID 23485066) is N-(4-chloro-2-methylphenyl)-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine is Cc1cc(Cl)ccc1Nc1ncnc(NN(c2ccccc2)c2ccccc2)c1[N+](=O)[O-].
What is the InChIKey of N-(4-chloro-2-methylphenyl)-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine?
The InChIKey is NETJBTCQKPKLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN6O2/c1-16-14-17(24)12-13-20(16)27-22-21(30(31)32)23(26-15-25-22)28-29(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15H,1H3,(H2,25,26,27,28).
What are the key properties of N-(4-chloro-2-methylphenyl)-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine?
N-(4-chloro-2-methylphenyl)-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine has a molecular weight of 446.90 g/mol, XLogP of 6.26, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine is sourced from PubChem (CID 23485066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).