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Search term: PYZLZAMQAFSOFT-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 4-{[(2,4-Diamino-6-oxo-1,6-dihydro-5-pyrimidinyl)carbamoyl]amino}benzoic acid | C12H12N6O4

4-{[(2,4-Diamino-6-oxo-1,6-dihydro-5-pyrimidinyl)carbamoyl]amino}benzoic acid

  • Molecular FormulaC12H12N6O4
  • Average mass304.262 Da
  • Monoisotopic mass304.092010 Da
  • ChemSpider ID58981921

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4-[[2,4-bis(azanyl)-6-oxidanylidene-1H-pyrimidin-5-yl]carbamoylamino]benzoic acid
4-{[(2,4-Diamino-6-oxo-1,6-dihydro-5-pyrimidinyl)carbamoyl]amino}benzoesäure [German] [ACD/IUPAC Name]
4-{[(2,4-Diamino-6-oxo-1,6-dihydro-5-pyrimidinyl)carbamoyl]amino}benzoic acid [ACD/IUPAC Name]
Acide 4-{[(2,4-diamino-6-oxo-1,6-dihydro-5-pyrimidinyl)carbamoyl]amino}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[[(2,4-diamino-1,6-dihydro-6-oxo-5-pyrimidinyl)amino]carbonyl]amino]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.791
Molar Refractivity: 72.2±0.5 cm3
#H bond acceptors: 10
#H bond donors: 8
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: -1.36
ACD/LogD (pH 5.5): -1.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 172 Å2
Polarizability: 28.6±0.5 10-24cm3
Surface Tension: 89.6±7.0 dyne/cm
Molar Volume: 170.3±7.0 cm3

Click to predict properties on the Chemicalize site


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