5-nitro-6-(2-phenylhydrazinyl)pyrimidin-4-amine

C10H10N6O2 — CID 23489047

IUPAC5-nitro-6-(2-phenylhydrazinyl)pyrimidin-4-amine
SMILESNc1ncnc(NNc2ccccc2)c1[N+](=O)[O-]
InChIInChI=1S/C10H10N6O2/c11-9-8(16(17)18)10(13-6-12-9)15-14-7-4-2-1-3-5-7/h1-6,14H,(H3,11,12,13,15)
InChIKeyLMPOASXRISNDKO-UHFFFAOYSA-N
MW246.23 g/mol
LogP1.41
Rot. Bonds4

About 5-nitro-6-(2-phenylhydrazinyl)pyrimidin-4-amine

5-nitro-6-(2-phenylhydrazinyl)pyrimidin-4-amine (PubChem CID 23489047) has the molecular formula C10H10N6O2 and a molecular weight of 246.23 g/mol. Its IUPAC name is 5-nitro-6-(2-phenylhydrazinyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-nitro-6-(2-phenylhydrazinyl)pyrimidin-4-amine
PubChem CID23489047
Molecular FormulaC10H10N6O2
Molecular Weight246.23 g/mol
Exact Mass246.09
IUPAC Name5-nitro-6-(2-phenylhydrazinyl)pyrimidin-4-amine
SMILESNc1ncnc(NNc2ccccc2)c1[N+](=O)[O-]
InChIInChI=1S/C10H10N6O2/c11-9-8(16(17)18)10(13-6-12-9)15-14-7-4-2-1-3-5-7/h1-6,14H,(H3,11,12,13,15)
InChIKeyLMPOASXRISNDKO-UHFFFAOYSA-N
XLogP1.41
TPSA119.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 51.41
H-Bond Donors ≤ 53
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

1-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]-2-phenylhydrazine
CID 22526624
5-nitro-4-N-(3-nitrophenyl)pyrimidine-4,6-diamine
CID 4140408
5-nitro-4-N-trimethylsilylpyrimidine-4,6-diamine
CID 71336225
5-nitro-6-(2-phenylhydrazinyl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 22526736
5-nitro-6-(2-phenylhydrazinyl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 22526735
4-N-(2,6-difluorophenyl)-5-nitropyrimidine-4,6-diamine
CID 2959694
4-N-(2-ethylphenyl)-5-nitropyrimidine-4,6-diamine
CID 2959709
N,N-bis(2-methylpropyl)-5-nitro-6-(2-phenylhydrazinyl)pyrimidin-4-amine
CID 23492946
5-nitro-4-N-(3-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 80759446
4-N-(2,3-dihydro-1H-inden-2-yl)-5-nitropyrimidine-4,6-diamine
CID 107855427
1-[6-(4-methylphenyl)sulfanyl-5-nitropyrimidin-4-yl]-2-phenylhydrazine
CID 22526673
N-[(4-methylphenyl)methyl]-5-nitro-6-(2-phenylhydrazinyl)pyrimidin-4-amine
CID 22526677

Frequently Asked Questions

What is the IUPAC name of 5-nitro-6-(2-phenylhydrazinyl)pyrimidin-4-amine?
The IUPAC name of 5-nitro-6-(2-phenylhydrazinyl)pyrimidin-4-amine (CID 23489047) is 5-nitro-6-(2-phenylhydrazinyl)pyrimidin-4-amine.
What is the SMILES notation for 5-nitro-6-(2-phenylhydrazinyl)pyrimidin-4-amine?
The canonical SMILES for 5-nitro-6-(2-phenylhydrazinyl)pyrimidin-4-amine is Nc1ncnc(NNc2ccccc2)c1[N+](=O)[O-].
What is the InChIKey of 5-nitro-6-(2-phenylhydrazinyl)pyrimidin-4-amine?
The InChIKey is LMPOASXRISNDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6O2/c11-9-8(16(17)18)10(13-6-12-9)15-14-7-4-2-1-3-5-7/h1-6,14H,(H3,11,12,13,15).
What are the key properties of 5-nitro-6-(2-phenylhydrazinyl)pyrimidin-4-amine?
5-nitro-6-(2-phenylhydrazinyl)pyrimidin-4-amine has a molecular weight of 246.23 g/mol, XLogP of 1.41, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-6-(2-phenylhydrazinyl)pyrimidin-4-amine is sourced from PubChem (CID 23489047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).