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

C10H9N3O2 — CID 20980738

IUPAC6-(4-aminophenyl)-1H-pyrimidine-2,4-dione
SMILESNc1ccc(-c2cc(=O)[nH]c(=O)[nH]2)cc1
InChIInChI=1S/C10H9N3O2/c11-7-3-1-6(2-4-7)8-5-9(14)13-10(15)12-8/h1-5H,11H2,(H2,12,13,14,15)
InChIKeyDIBNFYKXJGAJTR-UHFFFAOYSA-N
MW203.20 g/mol
LogP0.31
Rot. Bonds1

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

6-(4-aminophenyl)-1H-pyrimidine-2,4-dione (PubChem CID 20980738) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is 6-(4-aminophenyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(4-aminophenyl)-1H-pyrimidine-2,4-dione
PubChem CID20980738
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name6-(4-aminophenyl)-1H-pyrimidine-2,4-dione
SMILESNc1ccc(-c2cc(=O)[nH]c(=O)[nH]2)cc1
InChIInChI=1S/C10H9N3O2/c11-7-3-1-6(2-4-7)8-5-9(14)13-10(15)12-8/h1-5H,11H2,(H2,12,13,14,15)
InChIKeyDIBNFYKXJGAJTR-UHFFFAOYSA-N
XLogP0.31
TPSA91.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-(4-cyclohexylphenyl)-1H-pyrimidine-2,4-dione
CID 95473920
6-(5-amino-2-methoxyphenyl)-1H-pyrimidine-2,4-dione
CID 82475448
6-[2-(4-aminophenyl)hydrazinyl]-1H-pyrimidine-2,4-dione
CID 90678608
3-(4-aminophenyl)-2H-1,2-oxazol-5-one
CID 84655454
6-(4-ethoxy-3-methylphenyl)-1H-pyrimidine-2,4-dione
CID 82295142
5-(4-aminophenyl)-1H-pyrrole-2-carboxylic acid
CID 117223058
6-(2-sulfanylphenyl)-1H-pyrimidine-2,4-dione
CID 70626224
6-(4-bromophenyl)-2-sulfanylidene-1H-pyrimidin-4-one
CID 13370964
4,6-bis(4-methylphenyl)-1H-pyridin-2-one
CID 12035523
6-amino-1H-pyrimidine-2,4-dione;cyclopropane
CID 174382000
6-(4-aminophenyl)-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19656714
4-N-[4-[5-[4-(4-amino-N-methylanilino)phenyl]-1H-pyrrol-2-yl]phenyl]-4-N-methylbenzene-1,4-diamine
CID 142315294

Frequently Asked Questions

What is the IUPAC name of 6-(4-aminophenyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(4-aminophenyl)-1H-pyrimidine-2,4-dione (CID 20980738) is 6-(4-aminophenyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(4-aminophenyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(4-aminophenyl)-1H-pyrimidine-2,4-dione is Nc1ccc(-c2cc(=O)[nH]c(=O)[nH]2)cc1.
What is the InChIKey of 6-(4-aminophenyl)-1H-pyrimidine-2,4-dione?
The InChIKey is DIBNFYKXJGAJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c11-7-3-1-6(2-4-7)8-5-9(14)13-10(15)12-8/h1-5H,11H2,(H2,12,13,14,15).
What are the key properties of 6-(4-aminophenyl)-1H-pyrimidine-2,4-dione?
6-(4-aminophenyl)-1H-pyrimidine-2,4-dione has a molecular weight of 203.20 g/mol, XLogP of 0.31, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-aminophenyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 20980738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).