6-[2-(4-aminophenyl)hydrazinyl]-1H-pyrimidine-2,4-dione

C10H11N5O2 — CID 90678608

IUPAC6-[2-(4-aminophenyl)hydrazinyl]-1H-pyrimidine-2,4-dione
SMILESNc1ccc(NNc2cc(=O)[nH]c(=O)[nH]2)cc1
InChIInChI=1S/C10H11N5O2/c11-6-1-3-7(4-2-6)14-15-8-5-9(16)13-10(17)12-8/h1-5,14H,11H2,(H3,12,13,15,16,17)
InChIKeyBGUCHTYNIWFOLJ-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.08
Rot. Bonds3

About 6-[2-(4-aminophenyl)hydrazinyl]-1H-pyrimidine-2,4-dione

6-[2-(4-aminophenyl)hydrazinyl]-1H-pyrimidine-2,4-dione (PubChem CID 90678608) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is 6-[2-(4-aminophenyl)hydrazinyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[2-(4-aminophenyl)hydrazinyl]-1H-pyrimidine-2,4-dione
PubChem CID90678608
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC Name6-[2-(4-aminophenyl)hydrazinyl]-1H-pyrimidine-2,4-dione
SMILESNc1ccc(NNc2cc(=O)[nH]c(=O)[nH]2)cc1
InChIInChI=1S/C10H11N5O2/c11-6-1-3-7(4-2-6)14-15-8-5-9(16)13-10(17)12-8/h1-5,14H,11H2,(H3,12,13,15,16,17)
InChIKeyBGUCHTYNIWFOLJ-UHFFFAOYSA-N
XLogP0.08
TPSA115.80 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.08
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-(p-Tolylhydrazino)uracil
CID 12289476
6-[2-(4-chlorophenyl)hydrazinyl]-1H-pyrimidine-2,4-dione
CID 90678606
6-[2-(4-bromophenyl)hydrazinyl]-1H-pyrimidine-2,4-dione
CID 90678607
6-[(phenylhydrazinylidene)methyl]-1H-pyrimidine-2,4-dione
CID 266528
6-(2-(3-Fluorophenyl)hydrazino)-2,4-pyrimidinediol
CID 385880
5-methyl-3-(phenyldiazenyl)pyrazolo[1,5-a]pyrimidine-2,7(1H,4H)-dione
CID 135431525
6-(2-Phenylhydrazino)-2,4-pyrimidinediol
CID 385885
6-(2-(4-Fluorophenyl)hydrazino)-2,4-pyrimidinediol
CID 385886
6-[2-(3-methylphenyl)hydrazinyl]-1H-pyrimidine-2,4-dione
CID 90678611
Uracil, 3-methyl-6-(phenylhydrazino)-
CID 385874
6-(2-(2-Fluorophenyl)hydrazino)-2,4-pyrimidinediol
CID 385878
6-(2-(3-Chlorophenyl)hydrazino)-2,4-pyrimidinediol
CID 385879

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-aminophenyl)hydrazinyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[2-(4-aminophenyl)hydrazinyl]-1H-pyrimidine-2,4-dione (CID 90678608) is 6-[2-(4-aminophenyl)hydrazinyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[2-(4-aminophenyl)hydrazinyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[2-(4-aminophenyl)hydrazinyl]-1H-pyrimidine-2,4-dione is Nc1ccc(NNc2cc(=O)[nH]c(=O)[nH]2)cc1.
What is the InChIKey of 6-[2-(4-aminophenyl)hydrazinyl]-1H-pyrimidine-2,4-dione?
The InChIKey is BGUCHTYNIWFOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c11-6-1-3-7(4-2-6)14-15-8-5-9(16)13-10(17)12-8/h1-5,14H,11H2,(H3,12,13,15,16,17).
What are the key properties of 6-[2-(4-aminophenyl)hydrazinyl]-1H-pyrimidine-2,4-dione?
6-[2-(4-aminophenyl)hydrazinyl]-1H-pyrimidine-2,4-dione has a molecular weight of 233.23 g/mol, XLogP of 0.08, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-aminophenyl)hydrazinyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 90678608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).